data_TlInPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   5.55
_cell_length_c   4.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlInPt2
_chemical_formula_sum   'Tl1 In1 Pt2'
_cell_volume   79.13
_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  0.47  0.78  0.06  1.0
  In  In0  1  0.25  0.0  0.89  1.0
  Pt  Pt1  1  0.95  0.78  0.45  1.0
  Pt  Pt2  1  0.75  0.0  0.49  1.0

data_TlInPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   4.76
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlInPt2
_chemical_formula_sum   'Tl1 In1 Pt2'
_cell_volume   79.13
_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  0.53  0.94  0.22  1.0
  In  In1  1  0.75  0.11  0.0  1.0
  Pt  Pt2  1  0.05  0.55  0.22  1.0
  Pt  Pt3  1  0.25  0.51  0.0  1.0

Tl In Pt Pt