data_Fe3W5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   4.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3W5
_chemical_formula_sum   'Fe3 W5'
_cell_volume   115.7
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.06  0.18  0.17  1.0
  Fe  Fe2  1  0.06  0.82  0.17  1.0
  W  W3  1  0.06  0.0  0.0  1.0
  W  W4  1  0.53  0.18  0.0  1.0
  W  W5  1  0.53  0.82  0.0  1.0
  W  W6  1  0.47  0.0  0.17  1.0
  W  W7  1  0.64  0.0  0.17  1.0

data_Fe3W5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.34
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   109.94
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3W5
_chemical_formula_sum   'Fe3 W5'
_cell_volume   115.7
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.17  0.06  0.18  1.0
  Fe  Fe2  1  0.17  0.06  0.82  1.0
  W  W3  1  -0.0  0.53  0.82  1.0
  W  W4  1  -0.0  0.53  0.18  1.0
  W  W5  1  -0.0  0.06  0.0  1.0
  W  W6  1  0.17  0.47  0.0  1.0
  W  W7  1  0.17  0.64  0.0  1.0

Fe Fe Fe W W W W W