data_SnW2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.48
_cell_angle_alpha   101.14
_cell_angle_beta   101.14
_cell_angle_gamma   36.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnW2Br
_chemical_formula_sum   'Sn1 W2 Br1'
_cell_volume   82.02
_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  0.85  0.0  0.13  1.0
  W  W2  1  0.3  0.0  0.06  1.0
  W  W3  1  0.74  0.0  0.09  1.0
  Br  Br0  1  0.37  0.0  0.12  1.0

data_SnW2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   5.07
_cell_length_c   5.48
_cell_angle_alpha   101.14
_cell_angle_beta   90.0
_cell_angle_gamma   108.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnW2Br
_chemical_formula_sum   'Sn1 W2 Br1'
_cell_volume   82.02
_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  0.15  0.87  1.0
  W  W1  1  0.0  0.26  0.91  1.0
  W  W2  1  0.0  0.7  0.94  1.0
  Br  Br3  1  0.0  0.63  0.88  1.0

Sn W W Br
Sn W W Br 0 2 o o o 1 3 o o o 