data_[Tm1In1Sn2Br8]
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
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.8025]
_cell_length_b [7.2258]
_cell_length_c [9.1826]
_cell_angle_alpha [87.0467]
_cell_angle_beta [88.2843]
_cell_angle_gamma [88.3745]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TmIn(SnBr4)2]
_chemical_formula_sum '[Tm1 In1 Sn2 Br8]'
_cell_volume [450.3886]
_cell_formula_units_Z [1]
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  0.0000  0.0000  0.0000  1.0
  In  In1  1  0.0000  0.0000  0.5000  1.0
  Sn  Sn2  2  0.4925  0.4887  0.7496  1.0
  Br  Br3  2  0.2300  0.8370  0.7847  1.0
  Br  Br4  2  0.2344  0.3152  0.9798  1.0
  Br  Br5  2  0.2441  0.8526  0.2179  1.0
  Br  Br6  2  0.2737  0.3616  0.5277  1.0
]