# generated using pymatgen data_MnCo21B6Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.35672198 _cell_length_b 7.35672198 _cell_length_c 7.35672198 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCo21B6Mo _chemical_formula_sum 'Mn1 Co21 B6 Mo1' _cell_volume 281.53865644 _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 0.25000000 0.25000000 0.25000000 1.0 Co Co1 1 0.00086400 0.00086400 0.33770800 1.0 Co Co2 1 0.66056400 0.00086400 0.33770800 1.0 Co Co3 1 0.00086400 0.66056400 0.33770800 1.0 Co Co4 1 0.66056400 0.33770800 0.00086400 1.0 Co Co5 1 0.00086400 0.33770800 0.00086400 1.0 Co Co6 1 0.00086400 0.33770800 0.66056400 1.0 Co Co7 1 0.33770800 0.66056400 0.00086400 1.0 Co Co8 1 0.33770800 0.00086400 0.66056400 1.0 Co Co9 1 0.33770800 0.00086400 0.00086400 1.0 Co Co10 1 0.00086400 0.00086400 0.66056400 1.0 Co Co11 1 0.00086400 0.66056400 0.00086400 1.0 Co Co12 1 0.66056400 0.00086400 0.00086400 1.0 Co Co13 1 0.61712700 0.61712700 0.14861900 1.0 Co Co14 1 0.61712700 0.14861900 0.61712700 1.0 Co Co15 1 0.14861900 0.61712700 0.61712700 1.0 Co Co16 1 0.61712700 0.61712700 0.61712700 1.0 Co Co17 1 0.37754900 0.37754900 0.86735200 1.0 Co Co18 1 0.37754900 0.86735200 0.37754900 1.0 Co Co19 1 0.86735200 0.37754900 0.37754900 1.0 Co Co20 1 0.37754900 0.37754900 0.37754900 1.0 Co Co21 1 0.00000000 0.00000000 0.00000000 1.0 B B22 1 0.72510900 0.72510900 0.27489100 1.0 B B23 1 0.27489100 0.72510900 0.27489100 1.0 B B24 1 0.72510900 0.27489100 0.27489100 1.0 B B25 1 0.27489100 0.27489100 0.72510900 1.0 B B26 1 0.72510900 0.27489100 0.72510900 1.0 B B27 1 0.27489100 0.72510900 0.72510900 1.0 Mo Mo28 1 0.75000000 0.75000000 0.75000000 1.0