data_SnPtBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35
_cell_length_b   6.35
_cell_length_c   6.35
_cell_angle_alpha   142.1
_cell_angle_beta   142.1
_cell_angle_gamma   54.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnPtBr2
_chemical_formula_sum   'Sn1 Pt1 Br2'
_cell_volume   95.89
_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  Sn3  1  0.0  0.0  0.64  1.0
  Pt  Pt2  1  0.06  0.0  0.82  1.0
  Br  Br0  1  0.0  0.06  0.82  1.0
  Br  Br1  1  0.0  0.0  0.0  1.0

data_SnPtBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.12
_cell_length_b   4.12
_cell_length_c   6.35
_cell_angle_alpha   108.95
_cell_angle_beta   108.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnPtBr2
_chemical_formula_sum   'Sn1 Pt1 Br2'
_cell_volume   95.89
_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  0.64  0.64  0.64  1.0
  Pt  Pt1  1  0.82  0.76  0.76  1.0
  Br  Br2  1  0.0  0.0  0.0  1.0
  Br  Br3  1  0.76  0.82  0.76  1.0

Sn Pt Br Br