data_TlRePt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   2.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlRePt2
_chemical_formula_sum   'Tl1 Re1 Pt2'
_cell_volume   67.77
_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  0.83  0.0  0.0  1.0
  Re  Re2  1  0.0  0.0  0.0  1.0
  Pt  Pt0  1  0.41  0.89  0.42  1.0
  Pt  Pt1  1  0.41  0.11  0.42  1.0

data_TlRePt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   112.32
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlRePt2
_chemical_formula_sum   'Tl1 Re1 Pt2'
_cell_volume   67.77
_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  0.83  0.0  1.0
  Re  Re1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.42  0.41  0.89  1.0
  Pt  Pt3  1  0.42  0.41  0.11  1.0

Tl Re Pt Pt
Tl Re Pt Pt 0 1 + o o 2 3 o + o 