#======================================================================

# CRYSTAL DATA

#----------------------------------------------------------------------

data_spinel_GaInZnO4_c1


_chemical_name_common                  ''
_cell_length_a                         6.16597
_cell_length_b                         6.16597
_cell_length_c                         8.72000
_cell_angle_alpha                      90
_cell_angle_beta                       90
_cell_angle_gamma                      90
_space_group_name_H-M_alt              'P 1'
_space_group_IT_number                 1

loop_
_space_group_symop_operation_xyz
   'x, y, z'

loop_
   _atom_site_label
   _atom_site_occupancy
   _atom_site_fract_x
   _atom_site_fract_y
   _atom_site_fract_z
   _atom_site_adp_type
   _atom_site_B_iso_or_equiv
   _atom_site_type_symbol
   Zn1        1.0     0.000000      0.250000      0.375000     Biso  1.000000 Zn
   Zn2        1.0     1.000000      0.750000      0.625000     Biso  1.000000 Zn
   Zn3        1.0     0.500000      0.750000      0.875000     Biso  1.000000 Zn
   Zn4        1.0     0.500000      0.250000      0.125000     Biso  1.000000 Zn
   In5        1.0     0.000000      0.000000      0.000000     Biso  1.000000 In
   In6        1.0     0.250000      0.750000      0.250000     Biso  1.000000 In
   In7        1.0     0.750000      0.250000      0.750000     Biso  1.000000 In
   Ga8        1.0     0.500000      0.000000      0.500000     Biso  1.000000 Ga
   In9        1.0     0.500000      0.500000      0.500000     Biso  1.000000 In
   Ga10       1.0     0.250000      0.250000      0.750000     Biso  1.000000 Ga
   Ga11       1.0     0.750000      0.750000      0.250000     Biso  1.000000 Ga
   Ga12       1.0     0.000000      0.500000      0.000000     Biso  1.000000 Ga
   O13        1.0     0.000000      0.475600      0.762200     Biso  1.000000 O
   O14        1.0     0.000000      0.524400      0.237800     Biso  1.000000 O
   O15        1.0     0.774400      0.750000      0.012200     Biso  1.000000 O
   O16        1.0     0.225600      0.750000      0.012200     Biso  1.000000 O
   O17        1.0     1.000000      0.975600      0.237800     Biso  1.000000 O
   O18        1.0     0.725600      0.750000      0.487800     Biso  1.000000 O
   O19        1.0     0.274400      0.750000      0.487800     Biso  1.000000 O
   O20        1.0     0.000000      0.024400      0.762200     Biso  1.000000 O
   O21        1.0     0.500000      0.024400      0.737800     Biso  1.000000 O
   O22        1.0     0.274400      0.250000      0.512200     Biso  1.000000 O
   O23        1.0     0.725600      0.250000      0.512200     Biso  1.000000 O
   O24        1.0     0.500000      0.475600      0.737800     Biso  1.000000 O
   O25        1.0     0.500000      0.975600      0.262200     Biso  1.000000 O
   O26        1.0     0.225600      0.250000      0.987800     Biso  1.000000 O
   O27        1.0     0.774400      0.250000      0.987800     Biso  1.000000 O
   O28        1.0     0.500000      0.524400      0.262200     Biso  1.000000 O
