data_FeAsW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.23
_cell_length_c   2.92
_cell_angle_alpha   74.3
_cell_angle_beta   73.34
_cell_angle_gamma   32.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeAsW
_chemical_formula_sum   'Fe1 As1 W1'
_cell_volume   41.07
_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  Fe1  1  0.03  0.1  0.3  1.0
  As  As0  1  0.03  0.1  0.16  1.0
  W  W2  1  0.03  0.1  0.17  1.0

data_FeAsW
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   2.92
_cell_length_b   9.63
_cell_length_c   2.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   FeAsW
_chemical_formula_sum   'Fe2 As2 W2'
_cell_volume   82.18
_cell_formula_units_Z   2
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+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  '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  2  0.0  0.0  0.61  1.0
  As  As1  2  0.0  0.0  0.74  1.0
  W  W2  2  0.0  0.0  0.73  1.0

Fe As W
Fe As W 0 2 o o o 0 1 o o o 1 2 o o o 