data_[Zn1Fe1W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Fe  1.8300  1.4000  0.8525
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [2.6381]
_cell_length_b [4.2656]
_cell_length_c [5.3344]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9582]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [ZnFeW2]
_chemical_formula_sum '[Zn1 Fe1 W2]'
_cell_volume [58.2553]
_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  0.5000  0.5000  0.0000  1
  Fe  Fe1  1  0.5000  0.5000  0.5000  1
  W  W2  2  0.0142  0.0000  0.2557  1
]