# generated using pymatgen data_Mn7C3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46038000 _cell_length_b 6.81132500 _cell_length_c 11.70101800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn7C3 _chemical_formula_sum 'Mn28 C12' _cell_volume 355.48977226 _cell_formula_units_Z 4 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 0.74773000 0.06688600 0.48409200 1.0 Mn Mn1 1 0.24773000 0.43311400 0.01590800 1.0 Mn Mn2 1 0.25227000 0.56688600 0.51590800 1.0 Mn Mn3 1 0.75227000 0.93311400 0.98409200 1.0 Mn Mn4 1 0.25227000 0.93311400 0.51590800 1.0 Mn Mn5 1 0.75227000 0.56688600 0.98409200 1.0 Mn Mn6 1 0.74773000 0.43311400 0.48409200 1.0 Mn Mn7 1 0.24773000 0.06688600 0.01590800 1.0 Mn Mn8 1 0.54947800 0.06397400 0.69288600 1.0 Mn Mn9 1 0.04947800 0.43602600 0.80711400 1.0 Mn Mn10 1 0.45052200 0.56397400 0.30711400 1.0 Mn Mn11 1 0.95052200 0.93602600 0.19288600 1.0 Mn Mn12 1 0.45052200 0.93602600 0.30711400 1.0 Mn Mn13 1 0.95052200 0.56397400 0.19288600 1.0 Mn Mn14 1 0.54947800 0.43602600 0.69288600 1.0 Mn Mn15 1 0.04947800 0.06397400 0.80711400 1.0 Mn Mn16 1 0.78397500 0.25000000 0.30193900 1.0 Mn Mn17 1 0.28397500 0.25000000 0.19806100 1.0 Mn Mn18 1 0.21602500 0.75000000 0.69806100 1.0 Mn Mn19 1 0.71602500 0.75000000 0.80193900 1.0 Mn Mn20 1 0.78412000 0.25000000 0.09098800 1.0 Mn Mn21 1 0.28412000 0.25000000 0.40901200 1.0 Mn Mn22 1 0.21588000 0.75000000 0.90901200 1.0 Mn Mn23 1 0.71588000 0.75000000 0.59098800 1.0 Mn Mn24 1 0.56973800 0.25000000 0.87298700 1.0 Mn Mn25 1 0.06973800 0.25000000 0.62701300 1.0 Mn Mn26 1 0.43026200 0.75000000 0.12701300 1.0 Mn Mn27 1 0.93026200 0.75000000 0.37298700 1.0 C C28 1 0.54551500 0.02780700 0.14623200 1.0 C C29 1 0.04551500 0.47219300 0.35376800 1.0 C C30 1 0.45448500 0.52780700 0.85376800 1.0 C C31 1 0.95448500 0.97219300 0.64623200 1.0 C C32 1 0.45448500 0.97219300 0.85376800 1.0 C C33 1 0.95448500 0.52780700 0.64623200 1.0 C C34 1 0.54551500 0.47219300 0.14623200 1.0 C C35 1 0.04551500 0.02780700 0.35376800 1.0 C C36 1 0.96574500 0.25000000 0.93732600 1.0 C C37 1 0.46574500 0.25000000 0.56267400 1.0 C C38 1 0.03425500 0.75000000 0.06267400 1.0 C C39 1 0.53425500 0.75000000 0.43732600 1.0