data_SnB2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   3.26
_cell_angle_alpha   90.23
_cell_angle_beta   90.23
_cell_angle_gamma   32.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnB2W
_chemical_formula_sum   'Sn1 B2 W1'
_cell_volume   55.34
_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  Sn2  1  0.14  0.0  0.01  1.0
  B  B0  1  0.71  0.0  0.36  1.0
  B  B1  1  0.72  0.0  0.08  1.0
  W  W3  1  0.71  0.0  0.44  1.0

data_SnB2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   3.26
_cell_length_c   5.66
_cell_angle_alpha   90.23
_cell_angle_beta   106.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnB2W
_chemical_formula_sum   'Sn1 B2 W1'
_cell_volume   55.34
_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  0.01  0.14  1.0
  B  B1  1  0.0  0.08  0.72  1.0
  B  B2  1  0.0  0.36  0.71  1.0
  W  W3  1  0.0  0.44  0.71  1.0

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