data_[Nb3Re2W4]
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 [P-3m1]
_cell_length_a [4.5287]
_cell_length_b [4.5287]
_cell_length_c [8.3136]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Nb3(ReW2)2]
_chemical_formula_sum '[Nb3 Re2 W4]'
_cell_volume [147.6625]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.4444  1
  Nb  Nb1  1  0.0000  0.0000  0.0000  1
  Re  Re2  2  0.3333  0.6667  0.7816  1
  W  W3  2  0.0000  0.0000  0.3314  1
  W  W4  2  0.3333  0.6667  0.1099  1
]