data_Fe2BiW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   139.21
_cell_angle_beta   126.83
_cell_angle_gamma   69.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2BiW
_chemical_formula_sum   'Fe2 Bi1 W1'
_cell_volume   64.86
_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  0.0  0.25  0.15  1.0
  Fe  Fe2  1  0.75  0.0  0.98  1.0
  Bi  Bi0  1  0.0  0.0  0.13  1.0
  W  W3  1  0.0  0.0  0.0  1.0

data_Fe2BiW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   4.49
_cell_length_c   5.02
_cell_angle_alpha   116.59
_cell_angle_beta   110.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2BiW
_chemical_formula_sum   'Fe2 Bi1 W1'
_cell_volume   64.86
_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  0.77  0.02  0.77  1.0
  Fe  Fe1  1  0.85  0.09  0.09  1.0
  Bi  Bi2  1  0.87  0.87  0.87  1.0
  W  W3  1  0.0  0.0  0.0  1.0

Fe Fe Bi W
Fe Fe Bi W 0 3 o o o 1 3 + o + 1 2 + o + 2 3 o o o 