data_[Cu4Sn8W4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.3794]
_cell_length_b [7.3794]
_cell_length_c [5.8610]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [122]
_chemical_formula_structural [CuSn2W]
_chemical_formula_sum '[Cu4 Sn8 W4]'
_cell_volume [319.1630]
_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
[
  Cu  Cu0  4  0.0000  0.0000  0.5000  1
  Sn  Sn1  8  0.2271  0.7500  0.6250  1
  W  W2  4  0.0000  0.0000  0.0000  1
]