# generated using pymatgen data_Mg6Ni(B3Ir5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91906510 _cell_length_b 8.55819653 _cell_length_c 11.51604440 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6Ni(B3Ir5)2 _chemical_formula_sum 'Mg6 Ni1 B6 Ir10' _cell_volume 287.69304753 _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 Mg Mg0 1 0.50000000 0.00000000 0.50000000 1.0 Mg Mg1 1 0.50000000 0.50000000 0.00000000 1.0 Mg Mg2 1 0.50000000 0.65511206 0.50000000 1.0 Mg Mg3 1 0.50000000 0.34488794 0.50000000 1.0 Mg Mg4 1 0.50000000 0.00000000 0.19950209 1.0 Mg Mg5 1 0.50000000 0.00000000 0.80049791 1.0 Ni Ni6 1 0.00000000 0.00000000 0.00000000 1.0 B B7 1 0.50000000 0.82667499 0.00000000 1.0 B B8 1 0.50000000 0.17332501 0.00000000 1.0 B B9 1 0.50000000 0.68706505 0.26676462 1.0 B B10 1 0.50000000 0.31293495 0.26676462 1.0 B B11 1 0.50000000 0.31293495 0.73323538 1.0 B B12 1 0.50000000 0.68706505 0.73323538 1.0 Ir Ir13 1 0.00000000 0.50000000 0.30654383 1.0 Ir Ir14 1 0.00000000 0.50000000 0.69345617 1.0 Ir Ir15 1 0.00000000 0.73104101 0.12164870 1.0 Ir Ir16 1 0.00000000 0.26895899 0.12164870 1.0 Ir Ir17 1 0.00000000 0.26895899 0.87835130 1.0 Ir Ir18 1 0.00000000 0.73104101 0.87835130 1.0 Ir Ir19 1 0.00000000 0.82624922 0.35415729 1.0 Ir Ir20 1 0.00000000 0.17375078 0.35415729 1.0 Ir Ir21 1 0.00000000 0.17375078 0.64584271 1.0 Ir Ir22 1 0.00000000 0.82624922 0.64584271 1.0