data_[Tm4Sb4Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sb  2.0500  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9200]
_cell_length_b [4.0176]
_cell_length_c [10.3043]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1293]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmSbBr]
_chemical_formula_sum '[Tm4 Sb4 Br4]'
_cell_volume [421.6746]
_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
[
  Tm  Tm0  4  0.1776  0.0000  0.6447  1
  Sb  Sb1  4  0.0532  0.5000  0.3890  1
  Br  Br2  4  0.1927  0.0000  0.1644  1
]