data_[Re4Cl4O12]
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 [P2_1/c]
_cell_length_a [5.8855]
_cell_length_b [9.8120]
_cell_length_c [9.9552]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.0788]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [ReClO3]
_chemical_formula_sum '[Re4 Cl4 O12]'
_cell_volume [476.1720]
_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  0.4259  0.7285  0.2411  1.0
  Cl  Cl1  4  0.1493  0.5860  0.2595  1.0
  O  O2  4  0.2417  0.2157  0.0908  1.0
  O  O3  4  0.3219  0.6045  0.7249  1.0
  O  O4  4  0.4265  0.6903  0.0722  1.0
]