# generated using pymatgen data_Tm4CBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.80126358 _cell_length_b 12.69669194 _cell_length_c 13.13274759 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm4CBr6 _chemical_formula_sum 'Tm8 C2 Br12' _cell_volume 633.83200457 _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 Tm Tm0 1 0.00000000 0.09751462 0.07812448 1.0 Tm Tm1 1 0.00000000 0.90248538 0.92187552 1.0 Tm Tm2 1 0.00000000 0.59751462 0.42187552 1.0 Tm Tm3 1 0.00000000 0.40248538 0.57812448 1.0 Tm Tm4 1 0.50000000 0.12060323 0.85909582 1.0 Tm Tm5 1 0.50000000 0.87939677 0.14090418 1.0 Tm Tm6 1 0.50000000 0.62060323 0.64090418 1.0 Tm Tm7 1 0.50000000 0.37939677 0.35909582 1.0 C C8 1 0.50000000 0.00000000 0.00000000 1.0 C C9 1 0.50000000 0.50000000 0.50000000 1.0 Br Br10 1 0.50000000 0.26863883 0.68337903 1.0 Br Br11 1 0.50000000 0.73136117 0.31662097 1.0 Br Br12 1 0.50000000 0.76863883 0.81662097 1.0 Br Br13 1 0.50000000 0.23136117 0.18337903 1.0 Br Br14 1 0.00000000 0.26386181 0.93421688 1.0 Br Br15 1 0.00000000 0.73613819 0.06578312 1.0 Br Br16 1 0.00000000 0.48246835 0.23686458 1.0 Br Br17 1 0.00000000 0.51753165 0.76313542 1.0 Br Br18 1 0.00000000 0.98246835 0.26313542 1.0 Br Br19 1 0.00000000 0.01753165 0.73686458 1.0 Br Br20 1 0.00000000 0.23613819 0.43421688 1.0 Br Br21 1 0.00000000 0.76386181 0.56578312 1.0