data_[Nb24V4Re8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [8.4882]
_cell_length_b [8.6184]
_cell_length_c [8.8297]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Nb6VRe2]
_chemical_formula_sum '[Nb24 V4 Re8]'
_cell_volume [645.9346]
_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
[
  Nb  Nb0  8  0.0000  0.1944  0.2803  1
  Nb  Nb1  8  0.1823  0.5000  0.2402  1
  Nb  Nb2  8  0.2492  0.6906  0.5000  1
  V  V3  2  0.0000  0.0000  0.0000  1
  V  V4  2  0.0000  0.5000  0.5000  1
  Re  Re5  4  0.0000  0.3515  0.0000  1
  Re  Re6  4  0.1512  0.0000  0.5000  1
]