data_[Cs1Tm1Sn2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tm  1.2500  1.7500  1.0950
  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 [6.8511]
_cell_length_b [7.3452]
_cell_length_c [9.8635]
_cell_angle_alpha [83.0758]
_cell_angle_beta [85.9499]
_cell_angle_gamma [86.1679]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsTm(SnBr4)2]
_chemical_formula_sum '[Cs1 Tm1 Sn2 Br8]'
_cell_volume [490.6567]
_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
[
  Cs  Cs0  1  0.0000  0.0000  0.5000  1.0
  Tm  Tm1  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  2  0.4733  0.4778  0.7560  1.0
  Br  Br3  2  0.2205  0.3167  0.9692  1.0
  Br  Br4  2  0.2414  0.8440  0.8037  1.0
  Br  Br5  2  0.2504  0.8552  0.2016  1.0
  Br  Br6  2  0.2608  0.3958  0.5547  1.0
]