data_[Nb1Cu6W1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Cu  1.9000  1.3500  0.8200
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.2666]
_cell_length_b [5.4931]
_cell_length_c [4.4510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [NbCu6W]
_chemical_formula_sum '[Nb1 Cu6 W1]'
_cell_volume [104.3172]
_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  1  0.0000  0.0000  0.1635  1
  Cu  Cu1  2  0.0000  0.2595  0.6678  1
  Cu  Cu2  2  0.5000  0.2571  0.3370  1
  Cu  Cu3  1  0.0000  0.5000  0.1793  1
  Cu  Cu4  1  0.5000  0.0000  0.8044  1
  W  W5  1  0.5000  0.5000  0.8433  1
]