# generated using pymatgen data_Mg2NiB2Ir5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90550617 _cell_length_b 9.34301807 _cell_length_c 9.34301807 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2NiB2Ir5 _chemical_formula_sum 'Mg4 Ni2 B4 Ir10' _cell_volume 253.62740582 _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 0.32338974 0.82338974 1.0 Mg Mg1 1 0.00000000 0.67661026 0.17661026 1.0 Mg Mg2 1 -0.00000000 0.17661026 0.32338974 1.0 Mg Mg3 1 0.00000000 0.82338974 0.67661026 1.0 Ni Ni4 1 -0.00000000 0.50000000 0.50000000 1.0 Ni Ni5 1 -0.00000000 0.00000000 -0.00000000 1.0 B B6 1 -0.00000000 0.12718395 0.62718395 1.0 B B7 1 0.00000000 0.87281605 0.37281605 1.0 B B8 1 -0.00000000 0.37281605 0.12718395 1.0 B B9 1 0.00000000 0.62718395 0.87281605 1.0 Ir Ir10 1 0.50000000 0.00000000 0.50000000 1.0 Ir Ir11 1 0.50000000 0.50000000 -0.00000000 1.0 Ir Ir12 1 0.50000000 0.57072608 0.71248606 1.0 Ir Ir13 1 0.50000000 0.42927392 0.28751394 1.0 Ir Ir14 1 0.50000000 0.92927392 0.21248606 1.0 Ir Ir15 1 0.50000000 0.07072608 0.78751394 1.0 Ir Ir16 1 0.50000000 0.71248606 0.42927392 1.0 Ir Ir17 1 0.50000000 0.28751394 0.57072608 1.0 Ir Ir18 1 0.50000000 0.21248606 0.07072608 1.0 Ir Ir19 1 0.50000000 0.78751394 0.92927392 1.0