#====================================================================== # CRYSTAL DATA #---------------------------------------------------------------------- data_VESTA_phase_1 _pd_phase_name 'title ' _cell_length_a 5.80584 _cell_length_b 6.28288 _cell_length_c 5.86989 _cell_angle_alpha 53.28865 _cell_angle_beta 53.48871 _cell_angle_gamma 58.20121 _symmetry_space_group_name_H-M 'P 1' _symmetry_Int_Tables_number 1 loop_ _symmetry_equiv_pos_as_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 Li1 1.0 0.220946 0.907714 0.489724 Biso 1.000000 Li Li2 1.0 0.107801 0.481701 0.793213 Biso 1.000000 Li Li3 1.0 0.528833 0.738169 0.094901 Biso 1.000000 Li Li4 1.0 0.723446 0.262014 0.475244 Biso 1.000000 Li Li5 1.0 0.761937 0.563847 0.625620 Biso 1.000000 Li Li6 1.0 0.290294 0.407435 0.281115 Biso 1.000000 Li Zr1 1.0 0.941268 0.004520 0.045786 Biso 1.000000 Zr O1 1.0 0.197586 0.637713 0.919223 Biso 1.000000 O O2 1.0 0.633142 0.811285 0.285278 Biso 1.000000 O O3 1.0 0.991655 0.211563 0.593227 Biso 1.000000 O O4 1.0 0.726441 0.372313 0.086261 Biso 1.000000 O O5 1.0 0.376685 0.115748 0.789100 Biso 1.000000 O O6 1.0 0.098816 0.747194 0.389453 Biso 1.000000 O