# generated using pymatgen data_Ti3CoSn2(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.05123923 _cell_length_b 9.05123923 _cell_length_c 9.05123867 _cell_angle_alpha 57.14564610 _cell_angle_beta 57.14564610 _cell_angle_gamma 57.14565135 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3CoSn2(PO4)6 _chemical_formula_sum 'Ti3 Co1 Sn2 P6 O24' _cell_volume 489.85130483 _cell_formula_units_Z 1 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 0.64789700 0.64789700 0.64789700 1.0 Ti Ti1 1 0.85534900 0.85534900 0.85534900 1.0 Ti Ti2 1 0.34851500 0.34851500 0.34851500 1.0 Co Co3 1 0.15004000 0.15004000 0.15004000 1.0 Sn Sn4 1 0.01243500 0.01243500 0.01243500 1.0 Sn Sn5 1 0.49744000 0.49744000 0.49744000 1.0 P P6 1 0.95843700 0.24910900 0.53727300 1.0 P P7 1 0.53727300 0.95843700 0.24910900 1.0 P P8 1 0.24910900 0.53727300 0.95843700 1.0 P P9 1 0.74671000 0.46595000 0.03772700 1.0 P P10 1 0.46595000 0.03772700 0.74671000 1.0 P P11 1 0.03772700 0.74671000 0.46595000 1.0 O O12 1 0.50231500 0.12922800 0.28413000 1.0 O O13 1 0.28413000 0.50231500 0.12922800 1.0 O O14 1 0.12922800 0.28413000 0.50231500 1.0 O O15 1 0.93573200 0.07557100 0.72106400 1.0 O O16 1 0.97935700 0.22229000 0.37555300 1.0 O O17 1 0.77773800 0.42201600 0.57428400 1.0 O O18 1 0.72106400 0.93573200 0.07557100 1.0 O O19 1 0.57428400 0.77773800 0.42201600 1.0 O O20 1 0.78754800 0.62935300 0.00309200 1.0 O O21 1 0.42201600 0.57428400 0.77773800 1.0 O O22 1 0.91677900 0.28138500 0.05655900 1.0 O O23 1 0.62935300 0.00309200 0.78754800 1.0 O O24 1 0.37555300 0.97935700 0.22229000 1.0 O O25 1 0.07557100 0.72106400 0.93573200 1.0 O O26 1 0.57161500 0.44379800 0.22187000 1.0 O O27 1 0.22229000 0.37555300 0.97935700 1.0 O O28 1 0.44379800 0.22187000 0.57161500 1.0 O O29 1 0.28138500 0.05655900 0.91677900 1.0 O O30 1 0.22187000 0.57161500 0.44379800 1.0 O O31 1 0.00309200 0.78754800 0.62935300 1.0 O O32 1 0.05655900 0.91677900 0.28138500 1.0 O O33 1 0.87556600 0.69987200 0.50639200 1.0 O O34 1 0.69987200 0.50639200 0.87556600 1.0 O O35 1 0.50639200 0.87556600 0.69987200 1.0