# generated using pymatgen data_Nd5Sb3Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.45068084 _cell_length_b 9.45068186 _cell_length_c 6.69480287 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000338 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd5Sb3Br _chemical_formula_sum 'Nd10 Sb6 Br2' _cell_volume 517.83887525 _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 0.27544120 1.00000000 0.25000000 1.0 Nd Nd1 1 0.00000000 0.72455880 0.75000000 1.0 Nd Nd2 1 0.72455880 0.72455880 0.25000000 1.0 Nd Nd3 1 0.27544120 0.27544120 0.75000000 1.0 Nd Nd4 1 0.72455880 0.00000000 0.75000000 1.0 Nd Nd5 1 0.00000000 0.27544120 0.25000000 1.0 Nd Nd6 1 0.66666700 0.33333300 0.50000000 1.0 Nd Nd7 1 0.33333300 0.66666700 0.00000000 1.0 Nd Nd8 1 0.33333300 0.66666700 0.50000000 1.0 Nd Nd9 1 0.66666700 0.33333300 0.00000000 1.0 Sb Sb10 1 0.61597136 0.61597136 0.75000000 1.0 Sb Sb11 1 0.00000000 0.61597136 0.25000000 1.0 Sb Sb12 1 0.61597136 0.00000000 0.25000000 1.0 Sb Sb13 1 0.38402864 1.00000000 0.75000000 1.0 Sb Sb14 1 0.00000000 0.38402864 0.75000000 1.0 Sb Sb15 1 0.38402864 0.38402864 0.25000000 1.0 Br Br16 1 0.00000000 0.00000000 0.50000000 1.0 Br Br17 1 0.00000000 0.00000000 0.00000000 1.0