data_ZnFeW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.66
_cell_length_b   2.66
_cell_length_c   8.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnFeW2
_chemical_formula_sum   'Zn1 Fe1 W2'
_cell_volume   58.55
_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  Zn3  1  0.0  0.0  0.31  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.6  0.0  0.07  1.0
  W  W2  1  0.6  0.0  0.55  1.0

data_ZnFeW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   2.66
_cell_length_c   8.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnFeW2
_chemical_formula_sum   'Zn1 Fe1 W2'
_cell_volume   58.55
_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  0.0  0.0  0.31  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.6  0.0  0.07  1.0
  W  W3  1  0.6  0.0  0.55  1.0

Zn Fe W W
Zn Fe W W 0 2 - o o 0 2 o o o 0 0 o + o 0 0 + o o 0 3 - o o 0 3 o o o 0 1 o o o 1 2 - o o 3 3 o + o 3 3 + o o 