# generated using pymatgen data_Nd3GaGeIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.69472149 _cell_length_b 8.08990773 _cell_length_c 13.65701225 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd3GaGeIr2 _chemical_formula_sum 'Nd12 Ga4 Ge4 Ir8' _cell_volume 629.17543237 _cell_formula_units_Z 4 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 Nd Nd0 1 0.14655918 0.89599112 0.60051122 1.0 Nd Nd1 1 0.85344082 0.10400888 0.10051122 1.0 Nd Nd2 1 0.14655918 0.60400888 0.39948878 1.0 Nd Nd3 1 0.85344082 0.39599112 0.89948878 1.0 Nd Nd4 1 0.85344082 0.10400888 0.39948878 1.0 Nd Nd5 1 0.14655918 0.89599112 0.89948878 1.0 Nd Nd6 1 0.85344082 0.39599112 0.60051122 1.0 Nd Nd7 1 0.14655918 0.60400888 0.10051122 1.0 Nd Nd8 1 0.36988588 0.25472959 0.75000000 1.0 Nd Nd9 1 0.63011412 0.74527041 0.25000000 1.0 Nd Nd10 1 0.36988588 0.24527041 0.25000000 1.0 Nd Nd11 1 0.63011412 0.75472959 0.75000000 1.0 Ga Ga12 1 0.37956461 0.25000000 0.50000000 1.0 Ga Ga13 1 0.62043539 0.75000000 0.00000000 1.0 Ga Ga14 1 0.62043539 0.75000000 0.50000000 1.0 Ga Ga15 1 0.37956461 0.25000000 0.00000000 1.0 Ge Ge16 1 0.86023479 0.10637650 0.75000000 1.0 Ge Ge17 1 0.13976521 0.89362350 0.25000000 1.0 Ge Ge18 1 0.86023479 0.39362350 0.25000000 1.0 Ge Ge19 1 0.13976521 0.60637650 0.75000000 1.0 Ir Ir20 1 0.64037582 0.02909562 0.59129994 1.0 Ir Ir21 1 0.35962418 0.97090438 0.09129994 1.0 Ir Ir22 1 0.64037582 0.47090438 0.40870006 1.0 Ir Ir23 1 0.35962418 0.52909562 0.90870006 1.0 Ir Ir24 1 0.35962418 0.97090438 0.40870006 1.0 Ir Ir25 1 0.64037582 0.02909562 0.90870006 1.0 Ir Ir26 1 0.35962418 0.52909562 0.59129994 1.0 Ir Ir27 1 0.64037582 0.47090438 0.09129994 1.0