data_[Zn1Cu1W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.7151]
_cell_length_b [4.2489]
_cell_length_c [5.1658]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.5500]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ZnCuW2]
_chemical_formula_sum '[Zn1 Cu1 W2]'
_cell_volume [58.9308]
_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
[
  Zn  Zn0  1  0.3429  0.0000  0.5040  1
  Cu  Cu1  1  0.4103  0.5000  0.7469  1
  W  W2  1  0.7606  0.5000  0.2584  1
  W  W3  1  0.9861  0.0000  0.9908  1
]