# generated using pymatgen data_Gd3GeBr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.17948855 _cell_length_b 10.17948966 _cell_length_c 10.17948835 _cell_angle_alpha 109.47121996 _cell_angle_beta 109.47122216 _cell_angle_gamma 109.47121962 _symmetry_Int_Tables_number 1 _chemical_formula_structural Gd3GeBr3 _chemical_formula_sum 'Gd12 Ge4 Br12' _cell_volume 811.99998965 _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 Gd Gd0 1 0.48869655 0.75000000 0.01130345 1.0 Gd Gd1 1 0.75000000 0.23869655 0.26130345 1.0 Gd Gd2 1 0.23869655 0.26130345 0.75000000 1.0 Gd Gd3 1 0.47739509 0.48869655 0.23869655 1.0 Gd Gd4 1 0.26130345 0.01130345 0.02260491 1.0 Gd Gd5 1 0.23869655 0.47739509 0.48869655 1.0 Gd Gd6 1 0.01130345 0.02260491 0.26130345 1.0 Gd Gd7 1 0.01130345 0.48869655 0.75000000 1.0 Gd Gd8 1 0.48869655 0.23869655 0.47739509 1.0 Gd Gd9 1 0.75000000 0.01130345 0.48869655 1.0 Gd Gd10 1 0.02260491 0.26130345 0.01130345 1.0 Gd Gd11 1 0.26130345 0.75000000 0.23869655 1.0 Ge Ge12 1 0.25000000 0.25000000 0.25000000 1.0 Ge Ge13 1 0.00000000 0.25000000 0.50000000 1.0 Ge Ge14 1 0.25000000 0.50000000 0.00000000 1.0 Ge Ge15 1 0.50000000 0.00000000 0.25000000 1.0 Br Br16 1 0.99505039 0.99010077 0.74505039 1.0 Br Br17 1 0.75494961 0.74505039 0.25000000 1.0 Br Br18 1 0.99010077 0.74505039 0.99505039 1.0 Br Br19 1 0.25000000 0.99505039 0.50494961 1.0 Br Br20 1 0.74505039 0.99505039 0.99010077 1.0 Br Br21 1 0.50494961 0.25000000 0.99505039 1.0 Br Br22 1 0.74505039 0.25000000 0.75494961 1.0 Br Br23 1 0.50494961 0.75494961 0.50989923 1.0 Br Br24 1 0.75494961 0.50989923 0.50494961 1.0 Br Br25 1 0.25000000 0.75494961 0.74505039 1.0 Br Br26 1 0.50989923 0.50494961 0.75494961 1.0 Br Br27 1 0.99505039 0.50494961 0.25000000 1.0