# generated using pymatgen data_MnCu(B3Ir4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.80195856 _cell_length_b 2.83381646 _cell_length_c 23.18427281 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCu(B3Ir4)2 _chemical_formula_sum 'Mn1 Cu1 B6 Ir8' _cell_volume 184.08860439 _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 0.50000000 0.00000000 0.50000000 1.0 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1.0 B B2 1 0.50000000 0.00000000 0.37524740 1.0 B B3 1 0.00000000 0.00000000 0.11796255 1.0 B B4 1 0.00000000 0.00000000 0.88203745 1.0 B B5 1 0.00000000 0.50000000 0.23731926 1.0 B B6 1 0.00000000 0.50000000 0.76268074 1.0 B B7 1 0.50000000 0.00000000 0.62475260 1.0 Ir Ir8 1 0.50000000 0.50000000 0.91919845 1.0 Ir Ir9 1 0.50000000 0.00000000 0.19362066 1.0 Ir Ir10 1 0.00000000 0.00000000 0.69483061 1.0 Ir Ir11 1 0.50000000 0.00000000 0.80637934 1.0 Ir Ir12 1 0.50000000 0.50000000 0.08080155 1.0 Ir Ir13 1 0.00000000 0.00000000 0.30516939 1.0 Ir Ir14 1 0.00000000 0.50000000 0.41569504 1.0 Ir Ir15 1 0.00000000 0.50000000 0.58430496 1.0