data_[Nb12Re2W10]
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
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.5661]
_cell_length_b [6.4689]
_cell_length_c [13.7640]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Nb6ReW5]
_chemical_formula_sum '[Nb12 Re2 W10]'
_cell_volume [406.5564]
_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  8  0.0000  0.2494  0.8340  1
  Nb  Nb1  4  0.0000  0.2513  0.5000  1
  Re  Re2  2  0.0000  0.0000  0.0000  1
  W  W3  4  0.0000  0.0000  0.3336  1
  W  W4  4  0.0000  0.5000  0.3334  1
  W  W5  2  0.0000  0.5000  0.0000  1
]