# generated using pymatgen data_Nd3PtBr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.47562164 _cell_length_b 10.47562143 _cell_length_c 10.47562115 _cell_angle_alpha 109.47121819 _cell_angle_beta 109.47121778 _cell_angle_gamma 109.47122121 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd3PtBr3 _chemical_formula_sum 'Nd12 Pt4 Br12' _cell_volume 884.94752239 _cell_formula_units_Z 4 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 0.47153111 0.48576555 0.23576555 1.0 Nd Nd1 1 0.75000000 0.23576555 0.26423445 1.0 Nd Nd2 1 0.75000000 0.01423445 0.48576555 1.0 Nd Nd3 1 0.23576555 0.47153111 0.48576555 1.0 Nd Nd4 1 0.26423445 0.75000000 0.23576555 1.0 Nd Nd5 1 0.02846889 0.26423445 0.01423445 1.0 Nd Nd6 1 0.01423445 0.02846889 0.26423445 1.0 Nd Nd7 1 0.48576555 0.75000000 0.01423445 1.0 Nd Nd8 1 0.48576555 0.23576555 0.47153111 1.0 Nd Nd9 1 0.01423445 0.48576555 0.75000000 1.0 Nd Nd10 1 0.26423445 0.01423445 0.02846889 1.0 Nd Nd11 1 0.23576555 0.26423445 0.75000000 1.0 Pt Pt12 1 0.25000000 0.25000000 0.25000000 1.0 Pt Pt13 1 0.50000000 0.00000000 0.25000000 1.0 Pt Pt14 1 0.00000000 0.25000000 0.50000000 1.0 Pt Pt15 1 0.25000000 0.50000000 0.00000000 1.0 Br Br16 1 0.25000000 0.75545913 0.74454087 1.0 Br Br17 1 0.51091727 0.50545913 0.75545913 1.0 Br Br18 1 0.98908273 0.74454087 0.99454087 1.0 Br Br19 1 0.74454087 0.25000000 0.75545913 1.0 Br Br20 1 0.99454087 0.98908273 0.74454087 1.0 Br Br21 1 0.25000000 0.99454087 0.50545913 1.0 Br Br22 1 0.75545913 0.51091727 0.50545913 1.0 Br Br23 1 0.50545913 0.25000000 0.99454087 1.0 Br Br24 1 0.75545913 0.74454087 0.25000000 1.0 Br Br25 1 0.74454087 0.99454087 0.98908273 1.0 Br Br26 1 0.99454087 0.50545913 0.25000000 1.0 Br Br27 1 0.50545913 0.75545913 0.51091727 1.0