# generated using pymatgen data_Nd6GaGeI6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.84388833 _cell_length_b 10.84388899 _cell_length_c 10.83368646 _cell_angle_alpha 109.47805005 _cell_angle_beta 109.47805019 _cell_angle_gamma 109.49568257 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd6GaGeI6 _chemical_formula_sum 'Nd12 Ga2 Ge2 I12' _cell_volume 980.21190646 _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 0.46907181 0.48443504 0.23439510 1.0 Nd Nd1 1 0.75003894 0.23467671 0.26560490 1.0 Nd Nd2 1 0.74992627 0.01484744 0.48459721 1.0 Nd Nd3 1 0.23467095 0.46974977 0.48459721 1.0 Nd Nd4 1 0.26532329 0.74996106 0.23439510 1.0 Nd Nd5 1 0.03025023 0.26532905 0.01540279 1.0 Nd Nd6 1 0.01556496 0.03092819 0.26560490 1.0 Nd Nd7 1 0.48515256 0.75007373 0.01540279 1.0 Nd Nd8 1 0.48498710 0.23498710 0.46997320 1.0 Nd Nd9 1 0.01560107 0.48439893 0.75000000 1.0 Nd Nd10 1 0.26501290 0.01501290 0.03002680 1.0 Nd Nd11 1 0.23439893 0.26560107 0.75000000 1.0 Ga Ga12 1 0.24973206 0.25026794 0.25000000 1.0 Ga Ga13 1 0.50026794 0.99973206 0.25000000 1.0 Ge Ge14 1 0.00021646 0.25021646 0.50043392 1.0 Ge Ge15 1 0.24978354 0.49978354 0.99956608 1.0 I I16 1 0.24977903 0.75686392 0.74210855 1.0 I I17 1 0.51475537 0.50767048 0.75789145 1.0 I I18 1 0.98451070 0.74177823 0.99202320 1.0 I I19 1 0.74313608 0.25022097 0.75789145 1.0 I I20 1 0.99232952 0.98524463 0.74210855 1.0 I I21 1 0.24975502 0.99248750 0.50797680 1.0 I I22 1 0.75822177 0.51548930 0.50797680 1.0 I I23 1 0.50751250 0.25024498 0.99202320 1.0 I I24 1 0.75764461 0.74235539 0.25000000 1.0 I I25 1 0.74246745 0.99246745 0.98493491 1.0 I I26 1 0.99235539 0.50764461 0.25000000 1.0 I I27 1 0.50753255 0.75753255 0.51506509 1.0