data_TlPt2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   7.23
_cell_angle_alpha   121.87
_cell_angle_beta   121.87
_cell_angle_gamma   40.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlPt2Br
_chemical_formula_sum   'Tl1 Pt2 Br1'
_cell_volume   102.76
_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  Tl3  1  0.97  0.0  0.99  1.0
  Pt  Pt1  1  0.62  0.0  0.93  1.0
  Pt  Pt2  1  0.96  0.0  0.05  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_TlPt2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   5.14
_cell_length_c   6.28
_cell_angle_alpha   77.79
_cell_angle_beta   73.49
_cell_angle_gamma   69.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlPt2Br
_chemical_formula_sum   'Tl1 Pt2 Br1'
_cell_volume   102.76
_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  0.0  0.98  0.99  1.0
  Pt  Pt1  1  0.0  0.69  0.93  1.0
  Pt  Pt2  1  0.0  0.92  0.05  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Tl Pt Pt Br