# generated using pymatgen data_Ti3Be2ZnN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.77427343 _cell_length_b 7.77427317 _cell_length_c 7.77427286 _cell_angle_alpha 60.00000135 _cell_angle_beta 60.00000243 _cell_angle_gamma 60.00000054 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3Be2ZnN _chemical_formula_sum 'Ti12 Be8 Zn4 N4' _cell_volume 332.24955150 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ti Ti0 1 0.81244991 0.81244991 0.18755009 1.0 Ti Ti1 1 0.18755009 0.18755009 0.81244991 1.0 Ti Ti2 1 0.81244991 0.18755009 0.81244991 1.0 Ti Ti3 1 0.18755009 0.81244991 0.18755009 1.0 Ti Ti4 1 0.18755009 0.81244991 0.81244991 1.0 Ti Ti5 1 0.81244991 0.18755009 0.18755009 1.0 Ti Ti6 1 0.43755009 0.43755009 0.06244991 1.0 Ti Ti7 1 0.06244991 0.06244991 0.43755009 1.0 Ti Ti8 1 0.43755009 0.06244991 0.43755009 1.0 Ti Ti9 1 0.06244991 0.43755009 0.06244991 1.0 Ti Ti10 1 0.06244991 0.43755009 0.43755009 1.0 Ti Ti11 1 0.43755009 0.06244991 0.06244991 1.0 Be Be12 1 0.73142582 0.42285806 0.42285806 1.0 Be Be13 1 0.42285806 0.73142582 0.42285806 1.0 Be Be14 1 0.42285806 0.42285806 0.73142582 1.0 Be Be15 1 0.42285806 0.42285806 0.42285806 1.0 Be Be16 1 0.51857418 0.82714194 0.82714194 1.0 Be Be17 1 0.82714194 0.51857418 0.82714194 1.0 Be Be18 1 0.82714194 0.82714194 0.51857418 1.0 Be Be19 1 0.82714194 0.82714194 0.82714194 1.0 Zn Zn20 1 0.12500000 0.62500000 0.62500000 1.0 Zn Zn21 1 0.62500000 0.12500000 0.62500000 1.0 Zn Zn22 1 0.62500000 0.62500000 0.12500000 1.0 Zn Zn23 1 0.62500000 0.62500000 0.62500000 1.0 N N24 1 0.62500000 0.12500000 0.12500000 1.0 N N25 1 0.12500000 0.62500000 0.12500000 1.0 N N26 1 0.12500000 0.12500000 0.62500000 1.0 N N27 1 0.12500000 0.12500000 0.12500000 1.0