data_[Nb36Re6W18]
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 [R-3]
_cell_length_a [11.9172]
_cell_length_b [11.9172]
_cell_length_c [8.7291]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Nb6ReW3]
_chemical_formula_sum '[Nb36 Re6 W18]'
_cell_volume [1073.6104]
_cell_formula_units_Z [6]
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  18  0.0485  0.8751  0.2515  1
  Nb  Nb1  18  0.0700  0.5920  0.6088  1
  Re  Re2  3  0.0000  0.0000  0.0000  1
  Re  Re3  3  0.0000  0.0000  0.5000  1
  W  W4  18  0.0361  0.7935  0.5539  1
]