# generated using pymatgen data_Nd8SiPBr12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18261423 _cell_length_b 13.58410087 _cell_length_c 14.39235638 _cell_angle_alpha 89.97532339 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd8SiPBr12 _chemical_formula_sum 'Nd8 Si1 P1 Br12' _cell_volume 817.73120853 _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 Nd Nd0 1 0.50000000 0.11699990 0.34269065 1.0 Nd Nd1 1 0.50000000 0.88300010 0.65730935 1.0 Nd Nd2 1 0.50000000 0.62009377 0.16114153 1.0 Nd Nd3 1 0.50000000 0.37990623 0.83885847 1.0 Nd Nd4 1 0.00000000 0.11550292 0.57635033 1.0 Nd Nd5 1 0.00000000 0.88449708 0.42364967 1.0 Nd Nd6 1 0.00000000 0.62101074 0.91966374 1.0 Nd Nd7 1 0.00000000 0.37898926 0.08033626 1.0 Si Si8 1 0.50000000 0.50000000 0.00000000 1.0 P P9 1 0.50000000 0.00000000 0.50000000 1.0 Br Br10 1 0.50000000 0.24230435 0.16497153 1.0 Br Br11 1 0.50000000 0.75769565 0.83502847 1.0 Br Br12 1 0.50000000 0.74636175 0.33749562 1.0 Br Br13 1 0.50000000 0.25363825 0.66250438 1.0 Br Br14 1 0.00000000 0.25504941 0.41189276 1.0 Br Br15 1 0.00000000 0.74495059 0.58810724 1.0 Br Br16 1 0.00000000 0.75667718 0.08867925 1.0 Br Br17 1 0.00000000 0.24332282 0.91132075 1.0 Br Br18 1 0.00000000 0.00041040 0.24423175 1.0 Br Br19 1 0.00000000 0.99958960 0.75576825 1.0 Br Br20 1 0.00000000 0.50137100 0.25785463 1.0 Br Br21 1 0.00000000 0.49862900 0.74214537 1.0