data_[Nb2Re4O12]
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 [P2_1/c]
_cell_length_a [5.0389]
_cell_length_b [8.1015]
_cell_length_c [5.3350]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2162]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nb(ReO3)2]
_chemical_formula_sum '[Nb2 Re4 O12]'
_cell_volume [214.9770]
_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  0.0000  0.0000  0.0000  1
  Re  Re1  4  0.4445  0.6304  0.0426  1
  O  O2  4  0.1754  0.5397  0.2109  1
  O  O3  4  0.2363  0.6609  0.7049  1
  O  O4  4  0.3189  0.1809  0.1315  1
]