# generated using pymatgen data_Mn5Cr(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.61114456 _cell_length_b 8.61114456 _cell_length_c 8.61114491 _cell_angle_alpha 59.63398994 _cell_angle_beta 59.63398994 _cell_angle_gamma 59.63399146 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn5Cr(PO4)6 _chemical_formula_sum 'Mn5 Cr1 P6 O24' _cell_volume 447.75497828 _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 0.99964800 0.99964800 0.99964800 1.0 Mn Mn1 1 0.35638900 0.35638900 0.35638900 1.0 Mn Mn2 1 0.50055900 0.50055900 0.50055900 1.0 Mn Mn3 1 0.14358900 0.14358900 0.14358900 1.0 Mn Mn4 1 0.64394800 0.64394800 0.64394800 1.0 Cr Cr5 1 0.85775400 0.85775400 0.85775400 1.0 P P6 1 0.45939400 0.74987600 0.03998900 1.0 P P7 1 0.74987600 0.03998900 0.45939400 1.0 P P8 1 0.03998900 0.45939400 0.74987600 1.0 P P9 1 0.96138200 0.53938700 0.25036900 1.0 P P10 1 0.25036900 0.96138200 0.53938700 1.0 P P11 1 0.53938700 0.25036900 0.96138200 1.0 O O12 1 0.69847000 0.87996300 0.48687500 1.0 O O13 1 0.87996300 0.48687500 0.69847000 1.0 O O14 1 0.48687500 0.69847000 0.87996300 1.0 O O15 1 0.26208500 0.91476600 0.05940500 1.0 O O16 1 0.61789300 0.80313300 0.00998700 1.0 O O17 1 0.44369400 0.57995600 0.23680500 1.0 O O18 1 0.91476600 0.05940500 0.26208500 1.0 O O19 1 0.57995600 0.23680500 0.44369400 1.0 O O20 1 0.98946500 0.37926100 0.19869200 1.0 O O21 1 0.23680500 0.44369400 0.57995600 1.0 O O22 1 0.94437200 0.73486200 0.08530400 1.0 O O23 1 0.19869200 0.98946500 0.37926100 1.0 O O24 1 0.80313300 0.00998700 0.61789300 1.0 O O25 1 0.05940500 0.26208500 0.91476600 1.0 O O26 1 0.76529800 0.55508800 0.41787200 1.0 O O27 1 0.00998700 0.61789300 0.80313300 1.0 O O28 1 0.41787200 0.76529800 0.55508800 1.0 O O29 1 0.08530400 0.94437200 0.73486200 1.0 O O30 1 0.55508800 0.41787200 0.76529800 1.0 O O31 1 0.37926100 0.19869200 0.98946500 1.0 O O32 1 0.73486200 0.08530400 0.94437200 1.0 O O33 1 0.50673600 0.30551300 0.12222100 1.0 O O34 1 0.12222100 0.50673600 0.30551300 1.0 O O35 1 0.30551300 0.12222100 0.50673600 1.0