# generated using pymatgen data_Nd6GaPBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.35144930 _cell_length_b 10.35145010 _cell_length_c 10.32226041 _cell_angle_alpha 109.47274707 _cell_angle_beta 109.47275709 _cell_angle_gamma 109.58243856 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd6GaPBr6 _chemical_formula_sum 'Nd12 Ga2 P2 Br12' _cell_volume 850.23864423 _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 0.47784337 0.49207321 0.23698486 1.0 Nd Nd1 1 0.75508935 0.24085850 0.26301514 1.0 Nd Nd2 1 0.75568284 0.01395170 0.49253815 1.0 Nd Nd3 1 0.23685530 0.47858544 0.49253815 1.0 Nd Nd4 1 0.25914150 0.74491065 0.23698486 1.0 Nd Nd5 1 0.02141456 0.26314470 0.00746185 1.0 Nd Nd6 1 0.00792679 0.02215663 0.26301514 1.0 Nd Nd7 1 0.48604830 0.74431716 0.00746185 1.0 Nd Nd8 1 0.49216153 0.24216153 0.48432205 1.0 Nd Nd9 1 0.01416977 0.48583023 0.75000000 1.0 Nd Nd10 1 0.25783847 0.00783847 0.01567795 1.0 Nd Nd11 1 0.23583023 0.26416977 0.75000000 1.0 Ga Ga12 1 0.24988171 0.25011829 0.25000000 1.0 Ga Ga13 1 0.50011829 0.99988171 0.25000000 1.0 P P14 1 0.99976125 0.24976125 0.49952250 1.0 P P15 1 0.25023875 0.50023875 0.00047750 1.0 Br Br16 1 0.24964343 0.75506226 0.74327794 1.0 Br Br17 1 0.51178331 0.50636448 0.75672206 1.0 Br Br18 1 0.98738735 0.74128034 0.99313375 1.0 Br Br19 1 0.74493774 0.25035657 0.75672206 1.0 Br Br20 1 0.99363552 0.98821669 0.74327794 1.0 Br Br21 1 0.24814658 0.99425259 0.50686625 1.0 Br Br22 1 0.75871966 0.51261265 0.50686625 1.0 Br Br23 1 0.50574741 0.25185342 0.99313375 1.0 Br Br24 1 0.75646619 0.74353381 0.25000000 1.0 Br Br25 1 0.74431300 0.99431300 0.98862699 1.0 Br Br26 1 0.99353381 0.50646619 0.25000000 1.0 Br Br27 1 0.50568700 0.75568700 0.51137301 1.0