data_[Re2W4Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  W  2.3600  1.3500  0.7667
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.9354]
_cell_length_b [2.9659]
_cell_length_c [4.4846]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.9707]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ReW2Cl]
_chemical_formula_sum '[Re2 W4 Cl2]'
_cell_volume [132.0704]
_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
[
  Re  Re0  2  0.2196  0.5000  0.2191  1
  W  W1  2  0.2909  0.0000  0.7658  1
  W  W2  2  0.4909  0.5000  0.0458  1
  Cl  Cl3  2  0.4986  0.0000  0.4693  1
]