# generated using pymatgen data_Mg3Ni(BIr2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.95864269 _cell_length_b 9.32199861 _cell_length_c 9.32199861 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg3Ni(BIr2)2 _chemical_formula_sum 'Mg6 Ni2 B4 Ir8' _cell_volume 257.10503845 _cell_formula_units_Z 2 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 0.18315247 0.68315247 1.0 Mg Mg1 1 0.00000000 0.81684753 0.31684753 1.0 Mg Mg2 1 0.00000000 0.31684753 0.18315247 1.0 Mg Mg3 1 0.00000000 0.68315247 0.81684753 1.0 Mg Mg4 1 0.00000000 0.00000000 0.00000000 1.0 Mg Mg5 1 0.00000000 0.50000000 0.50000000 1.0 Ni Ni6 1 0.50000000 0.00000000 0.50000000 1.0 Ni Ni7 1 0.50000000 0.50000000 0.00000000 1.0 B B8 1 0.00000000 0.62005778 0.12005778 1.0 B B9 1 0.00000000 0.37994222 0.87994222 1.0 B B10 1 0.00000000 0.87994222 0.62005778 1.0 B B11 1 0.00000000 0.12005778 0.37994222 1.0 Ir Ir12 1 0.50000000 0.05850161 0.22831542 1.0 Ir Ir13 1 0.50000000 0.94149839 0.77168458 1.0 Ir Ir14 1 0.50000000 0.77168458 0.05850161 1.0 Ir Ir15 1 0.50000000 0.44149839 0.72831542 1.0 Ir Ir16 1 0.50000000 0.22831542 0.94149839 1.0 Ir Ir17 1 0.50000000 0.55850161 0.27168458 1.0 Ir Ir18 1 0.50000000 0.72831542 0.55850161 1.0 Ir Ir19 1 0.50000000 0.27168458 0.44149839 1.0