data_FeW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   6.29
_cell_angle_alpha   106.07
_cell_angle_beta   106.07
_cell_angle_gamma   30.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeW
_chemical_formula_sum   'Fe3 W3'
_cell_volume   81.15
_cell_formula_units_Z   3
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  0.87  0.0  0.06  1.0
  Fe  Fe1  1  0.43  0.0  0.61  1.0
  Fe  Fe2  1  0.08  0.0  0.05  1.0
  W  W3  1  0.1  0.0  0.05  1.0
  W  W4  1  0.18  0.0  0.65  1.0
  W  W5  1  0.56  0.0  0.65  1.0

data_FeW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   5.13
_cell_length_c   6.29
_cell_angle_alpha   106.07
_cell_angle_beta   90.0
_cell_angle_gamma   105.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeW
_chemical_formula_sum   'Fe3 W3'
_cell_volume   81.15
_cell_formula_units_Z   3
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  0.13  0.94  1.0
  Fe  Fe1  1  0.0  0.57  0.39  1.0
  Fe  Fe2  1  0.0  0.92  0.95  1.0
  W  W3  1  0.0  0.44  0.35  1.0
  W  W4  1  0.0  0.82  0.35  1.0
  W  W5  1  0.0  0.9  0.95  1.0

Fe Fe Fe W W W
Fe Fe Fe W W W 0 3 + o o 0 2 + o o 1 5 o o o 1 4 o o o 2 3 o o o 