# generated using pymatgen data_MgBIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27600102 _cell_length_b 5.27600005 _cell_length_c 9.44527590 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999982 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgBIr _chemical_formula_sum 'Mg6 B6 Ir6' _cell_volume 227.69575944 _cell_formula_units_Z 6 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 Mg Mg0 1 0.00000000 0.50000000 0.66666700 1.0 Mg Mg1 1 0.00000000 0.00000000 0.83333300 1.0 Mg Mg2 1 0.00000000 0.00000000 0.50000000 1.0 Mg Mg3 1 0.00000000 0.00000000 0.16666700 1.0 Mg Mg4 1 0.50000000 0.50000000 0.33333300 1.0 Mg Mg5 1 0.50000000 0.00000000 -0.00000000 1.0 B B6 1 0.20579962 0.60289981 0.16666700 1.0 B B7 1 0.60289981 0.20579962 0.50000000 1.0 B B8 1 0.60289981 0.39710019 0.83333300 1.0 B B9 1 0.79420038 0.39710019 0.16666700 1.0 B B10 1 0.39710019 0.60289981 0.83333300 1.0 B B11 1 0.39710019 0.79420038 0.50000000 1.0 Ir Ir12 1 0.50000000 0.50000000 0.04444850 1.0 Ir Ir13 1 0.50000000 0.00000000 0.71111550 1.0 Ir Ir14 1 0.50000000 0.50000000 0.62221750 1.0 Ir Ir15 1 0.50000000 0.00000000 0.28888450 1.0 Ir Ir16 1 0.00000000 0.50000000 0.37778250 1.0 Ir Ir17 1 0.00000000 0.50000000 0.95555150 1.0