data_Sb2PtBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   7.24
_cell_angle_alpha   97.34
_cell_angle_beta   97.34
_cell_angle_gamma   59.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2PtBr
_chemical_formula_sum   'Sb2 Pt1 Br1'
_cell_volume   108.32
_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  0.65  0.0  0.8  1.0
  Sb  Sb3  1  0.56  0.0  0.36  1.0
  Pt  Pt1  1  0.11  0.0  0.58  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Sb2PtBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.16
_cell_length_b   4.19
_cell_length_c   7.24
_cell_angle_alpha   97.34
_cell_angle_beta   90.0
_cell_angle_gamma   119.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2PtBr
_chemical_formula_sum   'Sb2 Pt1 Br1'
_cell_volume   108.32
_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  Sb0  1  0.0  0.35  0.2  1.0
  Sb  Sb1  1  0.0  0.44  0.64  1.0
  Pt  Pt2  1  0.0  0.89  0.42  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

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