data_[Tm8Ir2Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ir  2.2000  1.3500  0.7650
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.9607]
_cell_length_b [3.9380]
_cell_length_c [8.4504]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3769]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm4IrBr5]
_chemical_formula_sum '[Tm8 Ir2 Br10]'
_cell_volume [618.5715]
_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  4  0.0050  0.0000  0.2143  1
  Tm  Tm1  4  0.1459  0.5000  0.0697  1
  Ir  Ir2  2  0.0000  0.5000  0.0000  1
  Br  Br3  4  0.1690  0.0000  0.3233  1
  Br  Br4  4  0.1832  0.0000  0.8461  1
  Br  Br5  2  0.0000  0.5000  0.5000  1
]