# generated using pymatgen data_Nd4Ga5Br2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.44429034 _cell_length_b 11.44428960 _cell_length_c 4.21256078 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 93.33787539 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd4Ga5Br2 _chemical_formula_sum 'Nd8 Ga10 Br4' _cell_volume 550.79057566 _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 0.67317331 0.03919059 0.50000000 1.0 Nd Nd1 1 0.32682669 0.96080941 0.50000000 1.0 Nd Nd2 1 0.03919059 0.67317331 0.50000000 1.0 Nd Nd3 1 0.96080941 0.32682669 0.50000000 1.0 Nd Nd4 1 0.72921171 0.72921171 0.00000000 1.0 Nd Nd5 1 0.27078829 0.27078829 0.00000000 1.0 Nd Nd6 1 0.36861910 0.63138090 0.00000000 1.0 Nd Nd7 1 0.63138090 0.36861910 0.00000000 1.0 Ga Ga8 1 0.57928705 0.57928705 0.50000000 1.0 Ga Ga9 1 0.42071295 0.42071295 0.50000000 1.0 Ga Ga10 1 0.53708668 0.89956535 0.00000000 1.0 Ga Ga11 1 0.46291332 0.10043465 0.00000000 1.0 Ga Ga12 1 0.89956535 0.53708668 0.00000000 1.0 Ga Ga13 1 0.10043465 0.46291332 0.00000000 1.0 Ga Ga14 1 0.51176977 0.78200988 0.50000000 1.0 Ga Ga15 1 0.48823023 0.21799012 0.50000000 1.0 Ga Ga16 1 0.21799012 0.48823023 0.50000000 1.0 Ga Ga17 1 0.78200988 0.51176977 0.50000000 1.0 Br Br18 1 0.12482004 0.12482004 0.50000000 1.0 Br Br19 1 0.87517996 0.87517996 0.50000000 1.0 Br Br20 1 0.82517324 0.17482676 0.00000000 1.0 Br Br21 1 0.17482676 0.82517324 0.00000000 1.0