data_[Re2W2O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.3298]
_cell_length_b [5.3825]
_cell_length_c [9.2670]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1196]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [ReWO6]
_chemical_formula_sum '[Re2 W2 O12]'
_cell_volume [217.4516]
_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  0.5000  0.0000  0.0000  1.0
  W  W1  2  0.0000  0.0000  0.5000  1.0
  O  O2  4  0.1972  0.2181  0.9740  1.0
  O  O3  4  0.2563  0.7236  0.9740  1.0
  O  O4  4  0.3057  0.0057  0.7526  1.0
]