# generated using pymatgen data_Ti2V3Cr(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.44284859 _cell_length_b 8.44284859 _cell_length_c 8.44284892 _cell_angle_alpha 61.98404630 _cell_angle_beta 61.98404630 _cell_angle_gamma 61.98404787 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2V3Cr(PO4)6 _chemical_formula_sum 'Ti2 V3 Cr1 P6 O24' _cell_volume 444.43883023 _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 0.00243400 0.00243400 0.00243400 1.0 Ti Ti1 1 0.50066900 0.50066900 0.50066900 1.0 V V2 1 0.35741500 0.35741500 0.35741500 1.0 V V3 1 0.14158600 0.14158600 0.14158600 1.0 V V4 1 0.64107700 0.64107700 0.64107700 1.0 Cr Cr5 1 0.85805700 0.85805700 0.85805700 1.0 P P6 1 0.74887700 0.04377000 0.45847400 1.0 P P7 1 0.04377000 0.45847400 0.74887700 1.0 P P8 1 0.45847400 0.74887700 0.04377000 1.0 P P9 1 0.54561300 0.24760000 0.95526400 1.0 P P10 1 0.95526400 0.54561300 0.24760000 1.0 P P11 1 0.24760000 0.95526400 0.54561300 1.0 O O12 1 0.89223000 0.49622300 0.67678500 1.0 O O13 1 0.49622300 0.67678500 0.89223000 1.0 O O14 1 0.67678500 0.89223000 0.49622300 1.0 O O15 1 0.90168200 0.06074000 0.25290400 1.0 O O16 1 0.82077100 0.00682900 0.61005800 1.0 O O17 1 0.59761900 0.24962500 0.43847700 1.0 O O18 1 0.06074000 0.25290400 0.90168200 1.0 O O19 1 0.24962500 0.43847700 0.59761900 1.0 O O20 1 0.39238900 0.17737100 0.99436400 1.0 O O21 1 0.43847700 0.59761900 0.24962500 1.0 O O22 1 0.75048600 0.09478700 0.93823400 1.0 O O23 1 0.99436400 0.39238900 0.17737100 1.0 O O24 1 0.00682900 0.61005800 0.82077100 1.0 O O25 1 0.25290400 0.90168200 0.06074000 1.0 O O26 1 0.56331700 0.39983700 0.74976100 1.0 O O27 1 0.61005800 0.82077100 0.00682900 1.0 O O28 1 0.74976100 0.56331700 0.39983700 1.0 O O29 1 0.93823400 0.75048600 0.09478700 1.0 O O30 1 0.39983700 0.74976100 0.56331700 1.0 O O31 1 0.17737100 0.99436400 0.39238900 1.0 O O32 1 0.09478700 0.93823400 0.75048600 1.0 O O33 1 0.32111500 0.10643100 0.50714200 1.0 O O34 1 0.50714300 0.32111500 0.10643100 1.0 O O35 1 0.10643100 0.50714300 0.32111500 1.0