# generated using pymatgen data_Ti4Co(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.58336864 _cell_length_b 8.58336864 _cell_length_c 8.58336860 _cell_angle_alpha 60.47355740 _cell_angle_beta 60.47355740 _cell_angle_gamma 60.47356239 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti4Co(PO4)6 _chemical_formula_sum 'Ti4 Co1 P6 O24' _cell_volume 451.94166210 _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 0.35388300 0.35388300 0.35388300 1.0 Ti Ti1 1 0.86621600 0.86621600 0.86621600 1.0 Ti Ti2 1 0.64611700 0.64611700 0.64611700 1.0 Ti Ti3 1 0.13378400 0.13378400 0.13378400 1.0 Co Co4 1 0.50000000 0.50000000 0.50000000 1.0 P P5 1 0.95420700 0.53162700 0.25382400 1.0 P P6 1 0.25382400 0.95420700 0.53162700 1.0 P P7 1 0.53162700 0.25382400 0.95420700 1.0 P P8 1 0.74617600 0.04579300 0.46837300 1.0 P P9 1 0.46837300 0.74617600 0.04579300 1.0 P P10 1 0.04579300 0.46837300 0.74617600 1.0 O O11 1 0.23868900 0.44993400 0.57984800 1.0 O O12 1 0.57984800 0.23868900 0.44993400 1.0 O O13 1 0.44993400 0.57984800 0.23868900 1.0 O O14 1 0.09078100 0.93860700 0.72088200 1.0 O O15 1 0.72088200 0.09078100 0.93860700 1.0 O O16 1 0.93860700 0.72088200 0.09078100 1.0 O O17 1 0.76131100 0.55006600 0.42015200 1.0 O O18 1 0.42015200 0.76131100 0.55006600 1.0 O O19 1 0.55006600 0.42015200 0.76131100 1.0 O O20 1 0.90921900 0.06139300 0.27911800 1.0 O O21 1 0.27911800 0.90921900 0.06139300 1.0 O O22 1 0.06139300 0.27911800 0.90921900 1.0 O O23 1 0.11672800 0.49199000 0.31592900 1.0 O O24 1 0.31592900 0.11672800 0.49199000 1.0 O O25 1 0.49199000 0.31592900 0.11672800 1.0 O O26 1 0.79929600 0.00262300 0.63356600 1.0 O O27 1 0.63356600 0.79929600 0.00262300 1.0 O O28 1 0.00262300 0.63356600 0.79929600 1.0 O O29 1 0.88327200 0.50801000 0.68407100 1.0 O O30 1 0.68407100 0.88327200 0.50801000 1.0 O O31 1 0.50801000 0.68407100 0.88327200 1.0 O O32 1 0.20070400 0.99737700 0.36643400 1.0 O O33 1 0.36643400 0.20070400 0.99737700 1.0 O O34 1 0.99737700 0.36643400 0.20070400 1.0