data_[Zr4Cu2W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Cu  1.9000  1.3500  0.8200
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.6421]
_cell_length_b [3.2220]
_cell_length_c [4.7101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.0525]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Zr2CuW]
_chemical_formula_sum '[Zr4 Cu2 W2]'
_cell_volume [148.6066]
_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
[
  Zr  Zr0  2  0.0144  0.0000  0.0249  1
  Zr  Zr1  2  0.2357  0.0000  0.7207  1
  Cu  Cu2  2  0.4807  0.0000  0.5014  1
  W  W3  2  0.2692  0.5000  0.2530  1
]