# generated using pymatgen data_Mn20(MoC2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.44577501 _cell_length_b 7.44577501 _cell_length_c 7.44577501 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn20(MoC2)3 _chemical_formula_sum 'Mn20 Mo3 C6' _cell_volume 291.88698381 _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 0.84888300 0.38370600 0.38370600 1.0 Mn Mn1 1 0.38370600 0.84888300 0.38370600 1.0 Mn Mn2 1 0.38370600 0.38370600 0.84888300 1.0 Mn Mn3 1 0.38370600 0.38370600 0.38370600 1.0 Mn Mn4 1 0.15111700 0.61629400 0.61629400 1.0 Mn Mn5 1 0.61629400 0.15111700 0.61629400 1.0 Mn Mn6 1 0.61629400 0.61629400 0.15111700 1.0 Mn Mn7 1 0.61629400 0.61629400 0.61629400 1.0 Mn Mn8 1 0.65959800 0.00000000 0.00000000 1.0 Mn Mn9 1 0.65959800 0.00000000 0.34040200 1.0 Mn Mn10 1 0.65959800 0.34040200 0.00000000 1.0 Mn Mn11 1 0.00000000 0.65959800 0.34040200 1.0 Mn Mn12 1 0.00000000 0.65959800 0.00000000 1.0 Mn Mn13 1 0.34040200 0.65959800 0.00000000 1.0 Mn Mn14 1 0.00000000 0.34040200 0.65959800 1.0 Mn Mn15 1 0.34040200 0.00000000 0.65959800 1.0 Mn Mn16 1 0.00000000 0.00000000 0.65959800 1.0 Mn Mn17 1 0.34040200 0.00000000 0.00000000 1.0 Mn Mn18 1 0.00000000 0.34040200 0.00000000 1.0 Mn Mn19 1 0.00000000 0.00000000 0.34040200 1.0 Mo Mo20 1 0.00000000 0.00000000 0.00000000 1.0 Mo Mo21 1 0.25000000 0.25000000 0.25000000 1.0 Mo Mo22 1 0.75000000 0.75000000 0.75000000 1.0 C C23 1 0.72727800 0.27272200 0.27272200 1.0 C C24 1 0.72727800 0.27272200 0.72727800 1.0 C C25 1 0.72727800 0.72727800 0.27272200 1.0 C C26 1 0.27272200 0.72727800 0.72727800 1.0 C C27 1 0.27272200 0.72727800 0.27272200 1.0 C C28 1 0.27272200 0.27272200 0.72727800 1.0