# generated using pymatgen data_Nd12Ga(SiBr4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.39936141 _cell_length_b 10.39936244 _cell_length_c 10.39936290 _cell_angle_alpha 109.51003327 _cell_angle_beta 109.51002071 _cell_angle_gamma 109.51002164 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd12Ga(SiBr4)3 _chemical_formula_sum 'Nd12 Ga1 Si3 Br12' _cell_volume 864.51534275 _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 0.48110008 0.49182758 0.23986998 1.0 Nd Nd1 1 0.75000000 0.23922987 0.26077013 1.0 Nd Nd2 1 0.75000000 0.01051663 0.48948337 1.0 Nd Nd3 1 0.23986998 0.48110008 0.49182758 1.0 Nd Nd4 1 0.26077013 0.75000000 0.23922987 1.0 Nd Nd5 1 0.01889992 0.26013002 0.00817242 1.0 Nd Nd6 1 0.00817242 0.01889992 0.26013002 1.0 Nd Nd7 1 0.48948337 0.75000000 0.01051663 1.0 Nd Nd8 1 0.49182758 0.23986998 0.48110008 1.0 Nd Nd9 1 0.01051663 0.48948337 0.75000000 1.0 Nd Nd10 1 0.26013002 0.00817242 0.01889992 1.0 Nd Nd11 1 0.23922987 0.26077013 0.75000000 1.0 Ga Ga12 1 0.25000000 0.25000000 0.25000000 1.0 Si Si13 1 0.49997826 0.00002174 0.25000000 1.0 Si Si14 1 0.00002174 0.25000000 0.49997826 1.0 Si Si15 1 0.25000000 0.49997826 0.00002174 1.0 Br Br16 1 0.25000000 0.75545024 0.74454976 1.0 Br Br17 1 0.51116529 0.50558931 0.75603677 1.0 Br Br18 1 0.98883471 0.74396323 0.99441069 1.0 Br Br19 1 0.74454976 0.25000000 0.75545024 1.0 Br Br20 1 0.99441069 0.98883471 0.74396323 1.0 Br Br21 1 0.25000000 0.99446613 0.50553387 1.0 Br Br22 1 0.75603677 0.51116529 0.50558931 1.0 Br Br23 1 0.50553387 0.25000000 0.99446613 1.0 Br Br24 1 0.75545024 0.74454976 0.25000000 1.0 Br Br25 1 0.74396323 0.99441069 0.98883471 1.0 Br Br26 1 0.99446613 0.50553387 0.25000000 1.0 Br Br27 1 0.50558931 0.75603677 0.51116529 1.0