data_[V4Re4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Re  1.9000  1.3500  0.7125
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.7074]
_cell_length_b [6.6695]
_cell_length_c [6.9085]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [VReO4]
_chemical_formula_sum '[V4 Re4 O16]'
_cell_volume [262.9765]
_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
[
  V  V0  2  0.0000  0.0000  0.5000  1.0
  V  V1  2  0.0000  0.5000  0.0000  1.0
  Re  Re2  4  0.2247  0.5000  0.5000  1.0
  O  O3  8  0.2370  0.2092  0.5000  1.0
  O  O4  4  0.0000  0.0000  0.1873  1.0
  O  O5  4  0.0000  0.5000  0.2798  1.0
]