# generated using pymatgen data_Nd5(Hg2Ir)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.78380769 _cell_length_b 8.09915967 _cell_length_c 18.26284906 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd5(Hg2Ir)2 _chemical_formula_sum 'Nd10 Hg8 Ir4' _cell_volume 559.67711172 _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 Nd Nd0 1 0.00000000 0.10848570 0.41092761 1.0 Nd Nd1 1 0.00000000 0.89151430 0.58907239 1.0 Nd Nd2 1 0.00000000 0.39151430 0.91092761 1.0 Nd Nd3 1 0.00000000 0.60848570 0.08907239 1.0 Nd Nd4 1 0.00000000 0.23230839 0.21688482 1.0 Nd Nd5 1 0.00000000 0.76769161 0.78311518 1.0 Nd Nd6 1 0.00000000 0.26769161 0.71688482 1.0 Nd Nd7 1 0.00000000 0.73230839 0.28311518 1.0 Nd Nd8 1 0.00000000 0.00000000 0.00000000 1.0 Nd Nd9 1 0.00000000 0.50000000 0.50000000 1.0 Hg Hg10 1 0.50000000 0.42034388 0.35352274 1.0 Hg Hg11 1 0.50000000 0.57965612 0.64647726 1.0 Hg Hg12 1 0.50000000 0.07965612 0.85352274 1.0 Hg Hg13 1 0.50000000 0.92034388 0.14647726 1.0 Hg Hg14 1 0.50000000 0.28974282 0.06343281 1.0 Hg Hg15 1 0.50000000 0.71025718 0.93656719 1.0 Hg Hg16 1 0.50000000 0.21025718 0.56343281 1.0 Hg Hg17 1 0.50000000 0.78974282 0.43656719 1.0 Ir Ir18 1 0.50000000 0.01095736 0.30164910 1.0 Ir Ir19 1 0.50000000 0.98904264 0.69835090 1.0 Ir Ir20 1 0.50000000 0.48904264 0.80164910 1.0 Ir Ir21 1 0.50000000 0.51095736 0.19835090 1.0