# generated using pymatgen data_Nd4SeBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20780272 _cell_length_b 13.70432120 _cell_length_c 14.31824960 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd4SeBr6 _chemical_formula_sum 'Nd8 Se2 Br12' _cell_volume 825.66300878 _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 0.11070680 0.08524270 1.0 Nd Nd1 1 0.00000000 0.88929320 0.91475730 1.0 Nd Nd2 1 0.00000000 0.61070680 0.41475730 1.0 Nd Nd3 1 0.00000000 0.38929320 0.58524270 1.0 Nd Nd4 1 0.50000000 0.12783610 0.84753422 1.0 Nd Nd5 1 0.50000000 0.87216390 0.15246578 1.0 Nd Nd6 1 0.50000000 0.62783610 0.65246578 1.0 Nd Nd7 1 0.50000000 0.37216390 0.34753422 1.0 Se Se8 1 0.50000000 0.00000000 0.00000000 1.0 Se Se9 1 0.50000000 0.50000000 0.50000000 1.0 Br Br10 1 0.50000000 0.26299278 0.67850088 1.0 Br Br11 1 0.50000000 0.73700722 0.32149912 1.0 Br Br12 1 0.50000000 0.76299278 0.82149912 1.0 Br Br13 1 0.50000000 0.23700722 0.17850088 1.0 Br Br14 1 0.00000000 0.25898130 0.92700963 1.0 Br Br15 1 0.00000000 0.74101870 0.07299037 1.0 Br Br16 1 0.00000000 0.48177535 0.24218761 1.0 Br Br17 1 0.00000000 0.51822465 0.75781239 1.0 Br Br18 1 0.00000000 0.98177535 0.25781239 1.0 Br Br19 1 0.00000000 0.01822465 0.74218761 1.0 Br Br20 1 0.00000000 0.24101870 0.42700963 1.0 Br Br21 1 0.00000000 0.75898130 0.57299037 1.0