data_Sn2BW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   3.08
_cell_length_c   8.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2BW
_chemical_formula_sum   'Sn2 B1 W1'
_cell_volume   77.46
_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  0.73  0.0  0.71  1.0
  Sn  Sn2  1  0.0  0.0  0.16  1.0
  B  B0  1  0.0  0.0  0.53  1.0
  W  W3  1  0.73  0.0  0.79  1.0

data_Sn2BW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   3.08
_cell_length_c   8.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2BW
_chemical_formula_sum   'Sn2 B1 W1'
_cell_volume   77.46
_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  0.0  0.0  0.16  1.0
  Sn  Sn1  1  0.73  0.0  0.71  1.0
  B  B2  1  0.0  0.0  0.53  1.0
  W  W3  1  0.73  0.0  0.79  1.0

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