# generated using pymatgen data_Ti4Cr3(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.45645900 _cell_length_b 8.15859370 _cell_length_c 9.55136584 _cell_angle_alpha 106.08724056 _cell_angle_beta 105.79867679 _cell_angle_gamma 102.71123872 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti4Cr3(PO4)6 _chemical_formula_sum 'Ti4 Cr3 P6 O24' _cell_volume 440.76483479 _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 0.03058500 0.19955700 0.01804500 1.0 Ti Ti1 1 0.39383900 0.95716000 0.60402500 1.0 Ti Ti2 1 0.96941500 0.80044300 0.98195500 1.0 Ti Ti3 1 0.60616100 0.04284000 0.39597500 1.0 Cr Cr4 1 0.27105300 0.30366300 0.77882600 1.0 Cr Cr5 1 0.72894700 0.69633700 0.22117400 1.0 Cr Cr6 1 0.00000000 0.50000000 0.50000000 1.0 P P7 1 0.41266900 0.74368100 0.87009500 1.0 P P8 1 0.78294000 0.35700700 0.73874600 1.0 P P9 1 0.90805900 0.89803800 0.66170200 1.0 P P10 1 0.09194100 0.10196200 0.33829800 1.0 P P11 1 0.21706000 0.64299300 0.26125400 1.0 P P12 1 0.58733100 0.25631900 0.12990500 1.0 O O13 1 0.30049100 0.54599100 0.75828500 1.0 O O14 1 0.26027100 0.79839500 0.96281200 1.0 O O15 1 0.18418500 0.44531900 0.18604700 1.0 O O16 1 0.12491600 0.29681300 0.42036100 1.0 O O17 1 0.35239000 0.22792400 0.00882600 1.0 O O18 1 0.07543200 0.05469100 0.16362200 1.0 O O19 1 0.97847600 0.30298700 0.83465700 1.0 O O20 1 0.29746200 0.04584000 0.41844600 1.0 O O21 1 0.64761000 0.77207600 0.99117400 1.0 O O22 1 0.70253800 0.95416000 0.58155400 1.0 O O23 1 0.21533300 0.69236000 0.43222300 1.0 O O24 1 0.69950900 0.45400900 0.24171500 1.0 O O25 1 0.02152400 0.69701300 0.16534300 1.0 O O26 1 0.44143000 0.85862300 0.76826500 1.0 O O27 1 0.92456800 0.94530900 0.83637800 1.0 O O28 1 0.78466700 0.30764000 0.56777700 1.0 O O29 1 0.81581500 0.55468100 0.81395300 1.0 O O30 1 0.12579000 0.02370200 0.65972700 1.0 O O31 1 0.54856400 0.23861000 0.73004100 1.0 O O32 1 0.87421000 0.97629800 0.34027300 1.0 O O33 1 0.87508400 0.70318700 0.57963900 1.0 O O34 1 0.73972900 0.20160500 0.03718800 1.0 O O35 1 0.45143600 0.76139000 0.26995900 1.0 O O36 1 0.55857000 0.14137700 0.23173500 1.0