data_[Nb8Re2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Re  1.9000  1.3500  0.7125
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1281]
_cell_length_b [5.4750]
_cell_length_c [8.8093]
_cell_angle_alpha [84.4145]
_cell_angle_beta [79.7811]
_cell_angle_gamma [75.7523]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Nb4ReO4]
_chemical_formula_sum '[Nb8 Re2 O8]'
_cell_volume [235.5448]
_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
[
  Nb  Nb0  2  0.0764  0.7407  0.3738  1
  Nb  Nb1  2  0.1557  0.1774  0.2068  1
  Nb  Nb2  2  0.2143  0.6967  0.0420  1
  Nb  Nb3  2  0.3901  0.8640  0.6402  1
  Re  Re4  2  0.3320  0.3133  0.8079  1
  O  O5  2  0.1686  0.5752  0.6300  1
  O  O6  2  0.1950  0.0892  0.9851  1
  O  O7  2  0.2133  0.0600  0.4489  1
  O  O8  2  0.3659  0.4682  0.2419  1
]