# generated using pymatgen data_Mn5SiC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.36045464 _cell_length_b 6.36045464 _cell_length_c 7.49735000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 103.86529563 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn5SiC _chemical_formula_sum 'Mn20 Si4 C4' _cell_volume 294.47031685 _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 0.87407800 0.12592200 0.00000000 1.0 Mn Mn1 1 0.12592200 0.87407800 0.50000000 1.0 Mn Mn2 1 0.87407800 0.12592200 0.50000000 1.0 Mn Mn3 1 0.12592200 0.87407800 0.00000000 1.0 Mn Mn4 1 0.06405400 0.29942600 0.25000000 1.0 Mn Mn5 1 0.93594600 0.70057400 0.75000000 1.0 Mn Mn6 1 0.70057400 0.93594600 0.75000000 1.0 Mn Mn7 1 0.29942600 0.06405400 0.25000000 1.0 Mn Mn8 1 0.19265600 0.48401700 0.56476100 1.0 Mn Mn9 1 0.80734400 0.51598300 0.06476100 1.0 Mn Mn10 1 0.51598300 0.80734400 0.06476100 1.0 Mn Mn11 1 0.48401700 0.19265600 0.56476100 1.0 Mn Mn12 1 0.86575300 0.86575300 0.25000000 1.0 Mn Mn13 1 0.13424700 0.13424700 0.75000000 1.0 Mn Mn14 1 0.53291700 0.53291700 0.75000000 1.0 Mn Mn15 1 0.46708300 0.46708300 0.25000000 1.0 Mn Mn16 1 0.48401700 0.19265600 0.93523900 1.0 Mn Mn17 1 0.51598300 0.80734400 0.43523900 1.0 Mn Mn18 1 0.80734400 0.51598300 0.43523900 1.0 Mn Mn19 1 0.19265600 0.48401700 0.93523900 1.0 Si Si20 1 0.33439600 0.82397400 0.75000000 1.0 Si Si21 1 0.66560400 0.17602600 0.25000000 1.0 Si Si22 1 0.17602600 0.66560400 0.25000000 1.0 Si Si23 1 0.82397400 0.33439600 0.75000000 1.0 C C24 1 0.80697200 0.80697200 0.96532100 1.0 C C25 1 0.19302800 0.19302800 0.46532100 1.0 C C26 1 0.80697200 0.80697200 0.53467900 1.0 C C27 1 0.19302800 0.19302800 0.03467900 1.0