data_Sn2BiW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   3.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2BiW
_chemical_formula_sum   'Sn2 Bi1 W1'
_cell_volume   92.95
_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
  Sn  Sn1  1  0.66  0.83  0.61  1.0
  Sn  Sn2  1  0.66  0.17  0.61  1.0
  Bi  Bi0  1  0.32  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.0  1.0

data_Sn2BiW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   5.47
_cell_length_c   5.47
_cell_angle_alpha   105.23
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2BiW
_chemical_formula_sum   'Sn2 Bi1 W1'
_cell_volume   92.95
_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
  Sn  Sn0  1  0.61  0.66  0.17  1.0
  Sn  Sn1  1  0.61  0.66  0.83  1.0
  Bi  Bi2  1  -0.0  0.32  0.0  1.0
  W  W3  1  0.0  0.0  0.0  1.0

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