# generated using pymatgen data_CaNd(GaIr)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28720583 _cell_length_b 4.28720583 _cell_length_c 10.02698094 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaNd(GaIr)4 _chemical_formula_sum 'Ca1 Nd1 Ga4 Ir4' _cell_volume 184.29725126 _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 Ca Ca0 1 0.50000000 0.00000000 0.76073154 1.0 Nd Nd1 1 0.00000000 0.50000000 0.23431860 1.0 Ga Ga2 1 0.50000000 0.00000000 0.12489952 1.0 Ga Ga3 1 0.00000000 0.00000000 0.50185452 1.0 Ga Ga4 1 0.50000000 0.50000000 0.50185452 1.0 Ga Ga5 1 0.00000000 0.50000000 0.87406015 1.0 Ir Ir6 1 0.00000000 0.00000000 0.00036095 1.0 Ir Ir7 1 0.50000000 0.50000000 0.00036095 1.0 Ir Ir8 1 0.50000000 0.00000000 0.37226546 1.0 Ir Ir9 1 0.00000000 0.50000000 0.62929379 1.0