data_[Tm4In8Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [17.4455]
_cell_length_b [7.8346]
_cell_length_c [10.4589]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.2802]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TmIn2Br5]
_chemical_formula_sum '[Tm4 In8 Br20]'
_cell_volume [1195.0618]
_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  0.0000  0.5000  0.0000  1
  In  In1  8  0.1513  0.0290  0.9975  1
  Br  Br2  8  0.0554  0.1886  0.6395  1
  Br  Br3  8  0.1792  0.3988  0.1322  1
  Br  Br4  4  0.0000  0.3567  0.2500  1
]