data_[Re1Te2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Te  2.1000  1.4000  1.2933
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7616]
_cell_length_b [7.2237]
_cell_length_c [11.5514]
_cell_angle_alpha [72.3417]
_cell_angle_beta [88.1042]
_cell_angle_gamma [63.0732]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Re(TeCl6)2]
_chemical_formula_sum '[Re1 Te2 Cl12]'
_cell_volume [475.7214]
_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
[
  Re  Re0  1  0.0000  0.0000  0.0000  1.0
  Te  Te1  2  0.2633  0.4935  0.7629  1.0
  Cl  Cl2  2  0.0145  0.2299  0.8069  1.0
  Cl  Cl3  2  0.0258  0.2842  0.4017  1.0
  Cl  Cl4  2  0.0524  0.2224  0.0978  1.0
  Cl  Cl5  2  0.3941  0.7837  0.0193  1.0
  Cl  Cl6  2  0.4309  0.7254  0.7081  1.0
  Cl  Cl7  2  0.4864  0.2599  0.6551  1.0
]