data_ZnFe2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   4.36
_cell_angle_alpha   106.58
_cell_angle_beta   106.58
_cell_angle_gamma   34.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnFe2W
_chemical_formula_sum   'Zn1 Fe2 W1'
_cell_volume   52.08
_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  0.34  0.0  0.25  1.0
  Fe  Fe0  1  0.81  0.0  0.11  1.0
  Fe  Fe1  1  0.33  0.0  0.07  1.0
  W  W2  1  0.81  0.0  0.96  1.0

data_ZnFe2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.36
_cell_length_c   4.72
_cell_angle_alpha   106.58
_cell_angle_beta   107.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnFe2W
_chemical_formula_sum   'Zn1 Fe2 W1'
_cell_volume   52.08
_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  0.25  0.34  1.0
  Fe  Fe1  1  0.0  0.07  0.33  1.0
  Fe  Fe2  1  0.0  0.11  0.81  1.0
  W  W3  1  0.0  0.96  0.81  1.0

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