data_Sn2PtBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   3.24
_cell_angle_alpha   106.36
_cell_angle_beta   106.36
_cell_angle_gamma   88.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2PtBr
_chemical_formula_sum   'Sn2 Pt1 Br1'
_cell_volume   95.46
_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  Sn2  1  0.39  0.03  0.49  1.0
  Sn  Sn3  1  0.39  0.97  0.49  1.0
  Pt  Pt1  1  0.06  0.0  0.0  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Sn2PtBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   88.28
_cell_angle_beta   73.64
_cell_angle_gamma   73.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2PtBr
_chemical_formula_sum   'Sn2 Pt1 Br1'
_cell_volume   95.46
_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  0.49  0.61  0.03  1.0
  Sn  Sn1  1  0.49  0.61  0.97  1.0
  Pt  Pt2  1  -0.0  0.94  0.0  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Sn Sn Pt Br