data_[Cu2Ni8W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.4123]
_cell_length_b [7.6545]
_cell_length_c [4.4094]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9308]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CuNi4W]
_chemical_formula_sum '[Cu2 Ni8 W2]'
_cell_volume [141.6907]
_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
[
  Cu  Cu0  2  0.0000  0.5000  0.0000  1.0
  Ni  Ni1  4  0.0000  0.1665  0.0000  1.0
  Ni  Ni2  4  0.0000  0.3340  0.5000  1.0
  W  W3  2  0.0000  0.0000  0.5000  1.0
]