data_[Ca4Re4Cl4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [C2/m]
_cell_length_a [10.5843]
_cell_length_b [7.5255]
_cell_length_c [8.7552]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.9600]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaReClO4]
_chemical_formula_sum '[Ca4 Re4 Cl4 O16]'
_cell_volume [627.0153]
_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
[
  Ca  Ca0  4  0.1921  0.0000  0.1810  1.0
  Re  Re1  4  0.1132  0.5000  0.2916  1.0
  Cl  Cl2  4  0.0713  0.0000  0.8413  1.0
  O  O3  8  0.1664  0.3107  0.2191  1.0
  O  O4  4  0.0704  0.5000  0.7880  1.0
  O  O5  4  0.1897  0.5000  0.5140  1.0
]