data_[Re4Cl12O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [14.2793]
_cell_length_b [3.5109]
_cell_length_c [11.7789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [ReCl3O2]
_chemical_formula_sum '[Re4 Cl12 O8]'
_cell_volume [590.5087]
_cell_formula_units_Z [4]
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  4  0.1046  0.2500  0.2163  1
  Cl  Cl1  4  0.0482  0.7500  0.8617  1
  Cl  Cl2  4  0.1253  0.2500  0.4144  1
  Cl  Cl3  4  0.2462  0.7500  0.2378  1
  O  O4  4  0.0576  0.7500  0.2449  1
  O  O5  4  0.1537  0.2500  0.0835  1
]