data_Sn2PtBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   3.25
_cell_angle_alpha   106.35
_cell_angle_beta   106.35
_cell_angle_gamma   87.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2PtBr
_chemical_formula_sum   'Sn2 Pt1 Br1'
_cell_volume   96.34
_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  0.05  0.05  0.0  1.0
  Sn  Sn3  1  0.05  0.95  0.0  1.0
  Pt  Pt1  1  0.11  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   3.25
_cell_length_b   5.67
_cell_length_c   5.67
_cell_angle_alpha   87.14
_cell_angle_beta   73.65
_cell_angle_gamma   73.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2PtBr
_chemical_formula_sum   'Sn2 Pt1 Br1'
_cell_volume   96.34
_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  0.95  0.05  1.0
  Sn  Sn1  1  0.0  0.95  0.95  1.0
  Pt  Pt2  1  -0.0  0.89  0.0  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Sn Sn Pt Br