# generated using pymatgen data_TiMnZn(PO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.55560256 _cell_length_b 8.55560256 _cell_length_c 8.55560165 _cell_angle_alpha 60.64941444 _cell_angle_beta 60.64941444 _cell_angle_gamma 60.64941736 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiMnZn(PO4)3 _chemical_formula_sum 'Ti2 Mn2 Zn2 P6 O24' _cell_volume 449.32263419 _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 0.85546600 0.85546600 0.85546600 1.0 Ti Ti1 1 0.35546600 0.35546600 0.35546600 1.0 Mn Mn2 1 0.64447200 0.64447200 0.64447200 1.0 Mn Mn3 1 0.14447200 0.14447200 0.14447200 1.0 Zn Zn4 1 0.00233300 0.00233300 0.00233300 1.0 Zn Zn5 1 0.50233300 0.50233300 0.50233300 1.0 P P6 1 0.24907900 0.95471500 0.54459000 1.0 P P7 1 0.95471500 0.54459000 0.24907900 1.0 P P8 1 0.54459000 0.24907900 0.95471500 1.0 P P9 1 0.45471500 0.74907900 0.04459000 1.0 P P10 1 0.04459000 0.45471500 0.74907900 1.0 P P11 1 0.74907900 0.04459000 0.45471500 1.0 O O12 1 0.68630500 0.88926800 0.49000500 1.0 O O13 1 0.49000500 0.68630500 0.88926800 1.0 O O14 1 0.08580500 0.94609300 0.74096900 1.0 O O15 1 0.88926800 0.49000500 0.68630500 1.0 O O16 1 0.18630500 0.99000500 0.38926800 1.0 O O17 1 0.40960100 0.75948000 0.56296000 1.0 O O18 1 0.94609300 0.74096900 0.08580500 1.0 O O19 1 0.75948000 0.56296000 0.40960100 1.0 O O20 1 0.61963000 0.81350300 0.99573000 1.0 O O21 1 0.56296000 0.40960100 0.75948000 1.0 O O22 1 0.25948000 0.90960100 0.06296000 1.0 O O23 1 0.99573000 0.61963000 0.81350300 1.0 O O24 1 0.99000500 0.38926800 0.18630500 1.0 O O25 1 0.74096900 0.08580500 0.94609300 1.0 O O26 1 0.44609300 0.58580500 0.24096900 1.0 O O27 1 0.38926800 0.18630500 0.99000500 1.0 O O28 1 0.24096900 0.44609300 0.58580500 1.0 O O29 1 0.06296000 0.25948000 0.90960100 1.0 O O30 1 0.58580500 0.24096900 0.44609300 1.0 O O31 1 0.81350300 0.99573000 0.61963000 1.0 O O32 1 0.11963000 0.49573000 0.31350300 1.0 O O33 1 0.90960100 0.06296000 0.25948000 1.0 O O34 1 0.49573000 0.31350300 0.11963000 1.0 O O35 1 0.31350300 0.11963000 0.49573000 1.0