# generated using pymatgen data_Mn3Cr2Cu(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.40978172 _cell_length_b 8.40978172 _cell_length_c 8.40978122 _cell_angle_alpha 61.64823861 _cell_angle_beta 61.64823861 _cell_angle_gamma 61.64823504 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn3Cr2Cu(PO4)6 _chemical_formula_sum 'Mn3 Cr2 Cu1 P6 O24' _cell_volume 436.11516600 _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 0.85658600 0.85658600 0.85658600 1.0 Mn Mn1 1 0.64412100 0.64412100 0.64412100 1.0 Mn Mn2 1 0.35547900 0.35547900 0.35547900 1.0 Cr Cr3 1 0.00195400 0.00195400 0.00195400 1.0 Cr Cr4 1 0.50006100 0.50006100 0.50006100 1.0 Cu Cu5 1 0.14602700 0.14602700 0.14602700 1.0 P P6 1 0.95257000 0.24891900 0.54740100 1.0 P P7 1 0.54740100 0.95257000 0.24891900 1.0 P P8 1 0.24891900 0.54740100 0.95257000 1.0 P P9 1 0.75085600 0.45375300 0.04478000 1.0 P P10 1 0.45375300 0.04478000 0.75085600 1.0 P P11 1 0.04478000 0.75085600 0.45375300 1.0 O O12 1 0.88955400 0.67882500 0.49410800 1.0 O O13 1 0.67882500 0.49410800 0.88955400 1.0 O O14 1 0.93732900 0.09530200 0.75267600 1.0 O O15 1 0.49410800 0.88955400 0.67882500 1.0 O O16 1 0.98096600 0.18234500 0.39492700 1.0 O O17 1 0.74881100 0.40911600 0.56366600 1.0 O O18 1 0.75267600 0.93732900 0.09530200 1.0 O O19 1 0.56366600 0.74881100 0.40911600 1.0 O O20 1 0.81705800 0.60941300 0.01114900 1.0 O O21 1 0.40911600 0.56366600 0.74881100 1.0 O O22 1 0.90346200 0.25058600 0.05881900 1.0 O O23 1 0.60941300 0.01114900 0.81705800 1.0 O O24 1 0.39492700 0.98096600 0.18234500 1.0 O O25 1 0.09530200 0.75267600 0.93732900 1.0 O O26 1 0.59254900 0.44029100 0.24907400 1.0 O O27 1 0.18234500 0.39492700 0.98096600 1.0 O O28 1 0.44029100 0.24907400 0.59254900 1.0 O O29 1 0.25058600 0.05881900 0.90346200 1.0 O O30 1 0.24907400 0.59254900 0.44029100 1.0 O O31 1 0.01114900 0.81705800 0.60941300 1.0 O O32 1 0.51122100 0.10894200 0.31730300 1.0 O O33 1 0.05881900 0.90346200 0.25058600 1.0 O O34 1 0.31730300 0.51122100 0.10894200 1.0 O O35 1 0.10894200 0.31730300 0.51122100 1.0