data_[Cu2Re4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Re  1.9000  1.3500  0.7125
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9198]
_cell_length_b [7.5365]
_cell_length_c [5.1982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6819]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu(ReO4)2]
_chemical_formula_sum '[Cu2 Re4 O16]'
_cell_volume [420.3860]
_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  4  0.1842  0.0000  0.6514  1.0
  Cu  Cu1  2  0.0000  0.0000  0.0000  1.0
  O  O2  8  0.1332  0.1858  0.8071  1.0
  O  O3  4  0.1190  0.0000  0.3085  1.0
  O  O4  4  0.1557  0.5000  0.3116  1.0
]