data_TlPPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95
_cell_length_b   4.2
_cell_length_c   5.4
_cell_angle_alpha   90.0
_cell_angle_beta   91.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlPPt2
_chemical_formula_sum   'Tl1 P1 Pt2'
_cell_volume   89.59
_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  0.04  0.1  0.72  1.0
  P  P0  1  0.9  0.0  0.25  1.0
  Pt  Pt1  1  0.09  0.1  0.59  1.0
  Pt  Pt2  1  0.72  0.0  0.53  1.0

data_TlPPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   4.2
_cell_length_c   5.4
_cell_angle_alpha   90.0
_cell_angle_beta   91.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlPPt2
_chemical_formula_sum   'Tl1 P1 Pt2'
_cell_volume   89.59
_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  0.04  0.1  0.72  1.0
  P  P1  1  0.9  0.0  0.25  1.0
  Pt  Pt2  1  0.09  0.1  0.59  1.0
  Pt  Pt3  1  0.72  0.0  0.53  1.0

Tl P Pt Pt