# generated using pymatgen data_MnCr3(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.74469218 _cell_length_b 8.74469218 _cell_length_c 8.74469277 _cell_angle_alpha 58.30199064 _cell_angle_beta 58.30199064 _cell_angle_gamma 58.30198818 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCr3(PO4)6 _chemical_formula_sum 'Mn1 Cr3 P6 O24' _cell_volume 454.45761419 _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 Mn Mn0 1 0.85567000 0.85567000 0.85567000 1.0 Cr Cr1 1 0.14282800 0.14282800 0.14282800 1.0 Cr Cr2 1 0.35708300 0.35708300 0.35708300 1.0 Cr Cr3 1 0.64213600 0.64213600 0.64213600 1.0 P P4 1 0.03287500 0.46784400 0.75019400 1.0 P P5 1 0.46784400 0.75019400 0.03287500 1.0 P P6 1 0.75019400 0.03287500 0.46784400 1.0 P P7 1 0.24713800 0.96569600 0.53603600 1.0 P P8 1 0.53603600 0.24713800 0.96569600 1.0 P P9 1 0.96569600 0.53603600 0.24713800 1.0 O O10 1 0.13631400 0.50888800 0.27899000 1.0 O O11 1 0.27899000 0.13631400 0.50888800 1.0 O O12 1 0.06174500 0.28223600 0.92346300 1.0 O O13 1 0.50888800 0.27899000 0.13631400 1.0 O O14 1 0.21771700 0.43754500 0.57743700 1.0 O O15 1 0.01139600 0.64055400 0.77479600 1.0 O O16 1 0.28223600 0.92346300 0.06174500 1.0 O O17 1 0.43754500 0.57743700 0.21771700 1.0 O O18 1 0.57743700 0.21771700 0.43754500 1.0 O O19 1 0.21950500 0.99100800 0.36371600 1.0 O O20 1 0.07303700 0.94080200 0.72053400 1.0 O O21 1 0.36371600 0.21950500 0.99100800 1.0 O O22 1 0.64055400 0.77479600 0.01139600 1.0 O O23 1 0.92346300 0.06174500 0.28223600 1.0 O O24 1 0.77479600 0.01139600 0.64055400 1.0 O O25 1 0.42231000 0.78180400 0.56304800 1.0 O O26 1 0.56304800 0.42231000 0.78180400 1.0 O O27 1 0.72053400 0.07303700 0.94080200 1.0 O O28 1 0.99100800 0.36371600 0.21950500 1.0 O O29 1 0.78180400 0.56304800 0.42231000 1.0 O O30 1 0.49224900 0.72168600 0.86172000 1.0 O O31 1 0.94080200 0.72053400 0.07303700 1.0 O O32 1 0.72168600 0.86172000 0.49224900 1.0 O O33 1 0.86172000 0.49224900 0.72168600 1.0