data_TlPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   5.63
_cell_angle_alpha   137.99
_cell_angle_beta   137.99
_cell_angle_gamma   60.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlPt
_chemical_formula_sum   'Tl2 Pt2'
_cell_volume   79.23
_cell_formula_units_Z   2
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  0.02  0.0  0.43  1.0
  Tl  Tl3  1  0.0  0.0  0.86  1.0
  Pt  Pt0  1  0.0  0.02  0.43  1.0
  Pt  Pt1  1  0.0  0.0  0.0  1.0

data_TlPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   4.04
_cell_length_c   5.63
_cell_angle_alpha   111.0
_cell_angle_beta   111.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlPt
_chemical_formula_sum   'Tl2 Pt2'
_cell_volume   79.23
_cell_formula_units_Z   2
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  0.14  0.0  0.14  1.0
  Tl  Tl1  1  0.57  0.0  0.59  1.0
  Pt  Pt2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.59  0.02  0.59  1.0

Tl Tl Pt Pt