data_[Cs1Tl2Re1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  Re  1.9000  1.3500  0.7125
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.1243]
_cell_length_b [9.6023]
_cell_length_c [7.5450]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.3738]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CsTl2ReCl8]
_chemical_formula_sum '[Cs1 Tl2 Re1 Cl8]'
_cell_volume [410.3004]
_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  0.5000  0.0000  1.0
  Tl  Tl1  2  0.5000  0.2644  0.5000  1.0
  Re  Re2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.0435  0.1729  0.7941  1.0
  Cl  Cl4  2  0.3935  0.5000  0.7000  1.0
  Cl  Cl5  2  0.4019  0.0000  0.1785  1.0
]