data_Tl2PtBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.08
_cell_length_b   7.08
_cell_length_c   7.08
_cell_angle_alpha   145.92
_cell_angle_beta   145.92
_cell_angle_gamma   48.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2PtBr
_chemical_formula_sum   'Tl2 Pt1 Br1'
_cell_volume   111.14
_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
  Tl  Tl2  1  0.0  0.0  0.45  1.0
  Tl  Tl3  1  0.0  0.08  0.22  1.0
  Pt  Pt1  1  0.08  0.0  0.22  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Tl2PtBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.15
_cell_length_b   4.15
_cell_length_c   7.08
_cell_angle_alpha   107.04
_cell_angle_beta   107.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2PtBr
_chemical_formula_sum   'Tl2 Pt1 Br1'
_cell_volume   111.14
_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
  Tl  Tl0  1  0.55  0.0  0.55  1.0
  Tl  Tl1  1  0.85  0.08  0.85  1.0
  Pt  Pt2  1  0.78  0.0  0.85  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Tl Tl Pt Br