# generated using pymatgen data_Ti3MnCr(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.62865384 _cell_length_b 8.62865384 _cell_length_c 8.62865402 _cell_angle_alpha 60.21527787 _cell_angle_beta 60.21527787 _cell_angle_gamma 60.21528107 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3MnCr(PO4)6 _chemical_formula_sum 'Ti3 Mn1 Cr1 P6 O24' _cell_volume 456.48432220 _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 0.13497900 0.13497900 0.13497900 1.0 Ti Ti1 1 0.35373200 0.35373200 0.35373200 1.0 Ti Ti2 1 0.86458200 0.86458200 0.86458200 1.0 Mn Mn3 1 0.50016600 0.50016600 0.50016600 1.0 Cr Cr4 1 0.64436200 0.64436200 0.64436200 1.0 P P5 1 0.74733100 0.04019000 0.46750100 1.0 P P6 1 0.95606700 0.53504200 0.25277100 1.0 P P7 1 0.53504200 0.25277100 0.95606700 1.0 P P8 1 0.46750100 0.74733100 0.04019000 1.0 P P9 1 0.04019000 0.46750100 0.74733100 1.0 P P10 1 0.25277100 0.95606700 0.53504200 1.0 O O11 1 0.91160600 0.06321300 0.27765100 1.0 O O12 1 0.80029300 0.00028500 0.63182300 1.0 O O13 1 0.72373300 0.08884900 0.93866100 1.0 O O14 1 0.88202200 0.49762400 0.69072800 1.0 O O15 1 0.58110000 0.23460200 0.44817100 1.0 O O16 1 0.76376500 0.55414800 0.41984100 1.0 O O17 1 0.93866100 0.72373300 0.08884900 1.0 O O18 1 0.20094900 0.99760100 0.36977900 1.0 O O19 1 0.49601600 0.31119300 0.11962100 1.0 O O20 1 0.36977900 0.20094900 0.99760100 1.0 O O21 1 0.31119300 0.11962100 0.49601600 1.0 O O22 1 0.55414800 0.41984100 0.76376500 1.0 O O23 1 0.44817100 0.58110000 0.23460200 1.0 O O24 1 0.69072800 0.88202200 0.49762400 1.0 O O25 1 0.63182300 0.80029300 0.00028500 1.0 O O26 1 0.49762400 0.69072800 0.88202200 1.0 O O27 1 0.06321300 0.27765100 0.91160600 1.0 O O28 1 0.23460200 0.44817100 0.58110000 1.0 O O29 1 0.41984100 0.76376500 0.55414800 1.0 O O30 1 0.11962100 0.49601600 0.31119300 1.0 O O31 1 0.99760100 0.36977900 0.20094900 1.0 O O32 1 0.00028500 0.63182300 0.80029300 1.0 O O33 1 0.27765100 0.91160600 0.06321300 1.0 O O34 1 0.08884900 0.93866100 0.72373300 1.0