data_FeSi2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   3.76
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   91.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSi2W
_chemical_formula_sum   'Fe1 Si2 W1'
_cell_volume   52.71
_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
  Si  Si1  1  0.68  0.88  0.24  1.0
  Si  Si2  1  0.0  0.88  0.77  1.0
  W  W3  1  0.34  0.0  0.51  1.0

data_FeSi2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   3.76
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   91.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSi2W
_chemical_formula_sum   'Fe1 Si2 W1'
_cell_volume   52.71
_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
  Si  Si1  1  0.0  0.88  0.77  1.0
  Si  Si2  1  0.68  0.88  0.24  1.0
  W  W3  1  0.34  0.0  0.51  1.0

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