# generated using pymatgen data_TiZnNi(PO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.52776815 _cell_length_b 8.52776815 _cell_length_c 8.52776812 _cell_angle_alpha 60.59084875 _cell_angle_beta 60.59084875 _cell_angle_gamma 60.59083949 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiZnNi(PO4)3 _chemical_formula_sum 'Ti2 Zn2 Ni2 P6 O24' _cell_volume 444.37388298 _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 0.85619500 0.85619500 0.85619500 1.0 Ti Ti1 1 0.35619500 0.35619500 0.35619500 1.0 Zn Zn2 1 0.00350700 0.00350700 0.00350700 1.0 Zn Zn3 1 0.50350700 0.50350700 0.50350700 1.0 Ni Ni4 1 0.64359600 0.64359600 0.64359600 1.0 Ni Ni5 1 0.14359600 0.14359600 0.14359600 1.0 P P6 1 0.95477500 0.54249300 0.25093900 1.0 P P7 1 0.54249300 0.25093900 0.95477500 1.0 P P8 1 0.25093900 0.95477500 0.54249300 1.0 P P9 1 0.75093900 0.04249300 0.45477500 1.0 P P10 1 0.45477500 0.75093900 0.04249300 1.0 P P11 1 0.04249300 0.45477500 0.75093900 1.0 O O12 1 0.88561100 0.48606700 0.69193300 1.0 O O13 1 0.69193300 0.88561100 0.48606700 1.0 O O14 1 0.94542300 0.73989800 0.08749300 1.0 O O15 1 0.48606700 0.69193300 0.88561100 1.0 O O16 1 0.98606700 0.38561100 0.19193300 1.0 O O17 1 0.75983500 0.55905300 0.41312100 1.0 O O18 1 0.73989800 0.08749300 0.94542300 1.0 O O19 1 0.55905300 0.41312100 0.75983500 1.0 O O20 1 0.81369800 0.99604600 0.62031900 1.0 O O21 1 0.41312100 0.75983500 0.55905300 1.0 O O22 1 0.91312100 0.05905300 0.25983500 1.0 O O23 1 0.62031900 0.81369800 0.99604600 1.0 O O24 1 0.38561100 0.19193300 0.98606700 1.0 O O25 1 0.08749300 0.94542300 0.73989800 1.0 O O26 1 0.58749300 0.23989800 0.44542300 1.0 O O27 1 0.19193300 0.98606700 0.38561100 1.0 O O28 1 0.44542300 0.58749300 0.23989800 1.0 O O29 1 0.25983500 0.91312100 0.05905300 1.0 O O30 1 0.23989800 0.44542300 0.58749300 1.0 O O31 1 0.99604600 0.62031900 0.81369800 1.0 O O32 1 0.49604600 0.31369800 0.12031900 1.0 O O33 1 0.05905300 0.25983500 0.91312100 1.0 O O34 1 0.31369800 0.12031900 0.49604600 1.0 O O35 1 0.12031900 0.49604600 0.31369800 1.0