# generated using pymatgen data_Tb5In3Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.21788899 _cell_length_b 9.21788810 _cell_length_c 6.74071458 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000320 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb5In3Br _chemical_formula_sum 'Tb10 In6 Br2' _cell_volume 496.02031238 _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 Tb Tb0 1 0.73491163 0.73491163 0.25000000 1.0 Tb Tb1 1 0.00000000 0.73491163 0.75000000 1.0 Tb Tb2 1 0.73491163 0.00000000 0.75000000 1.0 Tb Tb3 1 0.33333300 0.66666700 0.50000000 1.0 Tb Tb4 1 0.26508837 0.26508837 0.75000000 1.0 Tb Tb5 1 1.00000000 0.26508837 0.25000000 1.0 Tb Tb6 1 0.66666700 0.33333300 0.50000000 1.0 Tb Tb7 1 0.26508837 0.00000000 0.25000000 1.0 Tb Tb8 1 0.33333300 0.66666700 0.00000000 1.0 Tb Tb9 1 0.66666700 0.33333300 0.00000000 1.0 In In10 1 0.39287510 0.00000000 0.75000000 1.0 In In11 1 1.00000000 0.60712490 0.25000000 1.0 In In12 1 0.60712490 0.00000000 0.25000000 1.0 In In13 1 0.00000000 0.39287510 0.75000000 1.0 In In14 1 0.39287510 0.39287510 0.25000000 1.0 In In15 1 0.60712490 0.60712490 0.75000000 1.0 Br Br16 1 0.00000000 0.00000000 0.50000000 1.0 Br Br17 1 0.00000000 0.00000000 0.00000000 1.0