# generated using pymatgen data_TiZnCu(PO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.51200098 _cell_length_b 8.51200098 _cell_length_c 8.51200114 _cell_angle_alpha 60.70419064 _cell_angle_beta 60.70419064 _cell_angle_gamma 60.70419031 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiZnCu(PO4)3 _chemical_formula_sum 'Ti2 Zn2 Cu2 P6 O24' _cell_volume 443.02484765 _cell_formula_units_Z 2 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 0.85671100 0.85671100 0.85671100 1.0 Ti Ti1 1 0.35671100 0.35671100 0.35671100 1.0 Zn Zn2 1 0.00404700 0.00404700 0.00404700 1.0 Zn Zn3 1 0.50404700 0.50404700 0.50404700 1.0 Cu Cu4 1 0.64507600 0.64507600 0.64507600 1.0 Cu Cu5 1 0.14507600 0.14507600 0.14507600 1.0 P P6 1 0.24991800 0.95521700 0.54294700 1.0 P P7 1 0.95521700 0.54294700 0.24991800 1.0 P P8 1 0.54294700 0.24991800 0.95521700 1.0 P P9 1 0.45521700 0.74991800 0.04294700 1.0 P P10 1 0.04294700 0.45521700 0.74991800 1.0 P P11 1 0.74991800 0.04294700 0.45521700 1.0 O O12 1 0.69179200 0.88637700 0.48269100 1.0 O O13 1 0.48269100 0.69179200 0.88637700 1.0 O O14 1 0.08675300 0.94539200 0.74060500 1.0 O O15 1 0.88637700 0.48269100 0.69179200 1.0 O O16 1 0.19179200 0.98269100 0.38637700 1.0 O O17 1 0.41394100 0.76061800 0.55845100 1.0 O O18 1 0.94539200 0.74060500 0.08675300 1.0 O O19 1 0.76061800 0.55845100 0.41394100 1.0 O O20 1 0.62181200 0.81038100 0.99727400 1.0 O O21 1 0.55845100 0.41394100 0.76061800 1.0 O O22 1 0.26061800 0.91394100 0.05845100 1.0 O O23 1 0.99727400 0.62181200 0.81038100 1.0 O O24 1 0.98269100 0.38637700 0.19179200 1.0 O O25 1 0.74060500 0.08675300 0.94539200 1.0 O O26 1 0.44539200 0.58675300 0.24060500 1.0 O O27 1 0.38637700 0.19179200 0.98269100 1.0 O O28 1 0.24060500 0.44539200 0.58675300 1.0 O O29 1 0.05845100 0.26061800 0.91394100 1.0 O O30 1 0.58675300 0.24060500 0.44539200 1.0 O O31 1 0.81038100 0.99727400 0.62181200 1.0 O O32 1 0.12181200 0.49727400 0.31038100 1.0 O O33 1 0.91394100 0.05845100 0.26061800 1.0 O O34 1 0.49727400 0.31038100 0.12181200 1.0 O O35 1 0.31038100 0.12181200 0.49727400 1.0