data_Sb2PtBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.8
_cell_length_b   7.8
_cell_length_c   7.8
_cell_angle_alpha   30.17
_cell_angle_beta   30.17
_cell_angle_gamma   30.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2PtBr
_chemical_formula_sum   'Sb2 Pt1 Br1'
_cell_volume   106.22
_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
  Sb  Sb2  1  0.0  0.0  0.26  1.0
  Sb  Sb3  1  0.0  0.0  0.06  1.0
  Pt  Pt1  1  0.0  0.0  0.16  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Sb2PtBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.03
_cell_length_b   4.06
_cell_length_c   7.8
_cell_angle_alpha   90.0
_cell_angle_beta   107.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sb2PtBr
_chemical_formula_sum   'Sb4 Pt2 Br2'
_cell_volume   212.43
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Sb  Sb0  2  -0.0  0.0  0.74  1.0
  Sb  Sb1  2  -0.0  0.0  0.94  1.0
  Pt  Pt2  2  -0.0  0.0  0.84  1.0
  Br  Br3  2  0.0  0.0  0.0  1.0

Sb Sb Pt Br
Sb Sb Pt Br 0 2 o o o 1 3 o o o 1 2 o o o 