data_Sn2BiW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.19
_cell_length_b   7.19
_cell_length_c   7.19
_cell_angle_alpha   154.67
_cell_angle_beta   139.94
_cell_angle_gamma   47.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2BiW
_chemical_formula_sum   'Sn2 Bi1 W1'
_cell_volume   101.92
_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  0.58  0.0  0.54  1.0
  Sn  Sn2  1  0.0  0.46  0.03  1.0
  Bi  Bi0  1  0.0  0.0  0.57  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   3.15
_cell_length_b   4.92
_cell_length_c   7.19
_cell_angle_alpha   110.03
_cell_angle_beta   102.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2BiW
_chemical_formula_sum   'Sn2 Bi1 W1'
_cell_volume   101.92
_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  0.04  0.46  0.04  1.0
  Sn  Sn1  1  0.97  0.43  0.43  1.0
  Bi  Bi2  1  0.43  0.43  0.43  1.0
  W  W3  1  0.0  0.0  0.0  1.0

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