data_FeW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   4.24
_cell_angle_alpha   60.31
_cell_angle_beta   60.31
_cell_angle_gamma   60.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeW
_chemical_formula_sum   'Fe2 W2'
_cell_volume   54.46
_cell_formula_units_Z   2
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  0.78  1.0
  Fe  Fe1  1  0.0  0.0  0.6  1.0
  W  W2  1  0.0  0.0  0.3  1.0
  W  W3  1  0.0  0.0  0.07  1.0

data_FeW
_symmetry_space_group_name_H-M   Immm
_cell_length_a   4.24
_cell_length_b   4.26
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   71
_chemical_formula_structural   FeW
_chemical_formula_sum   'Fe4 W4'
_cell_volume   108.92
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, -y, z'
  4  'x, y, -z'
  5  'x, -y, -z'
  6  '-x, y, z'
  7  '-x, y, -z'
  8  'x, -y, z'
  9  'x+1/2, y+1/2, z+1/2'
  10  '-x+1/2, -y+1/2, -z+1/2'
  11  '-x+1/2, -y+1/2, z+1/2'
  12  'x+1/2, y+1/2, -z+1/2'
  13  'x+1/2, -y+1/2, -z+1/2'
  14  '-x+1/2, y+1/2, z+1/2'
  15  '-x+1/2, y+1/2, -z+1/2'
  16  'x+1/2, -y+1/2, z+1/2'
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  4  0.09  0.0  0.0  1.0
  W  W1  4  0.12  0.5  0.5  1.0

Fe Fe W W
Fe Fe W W 0 1 o o o 2 3 o o o 