data_TlPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92
_cell_length_b   14.18
_cell_length_c   4.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlPt3
_chemical_formula_sum   'Tl6 Pt18'
_cell_volume   414.24
_cell_formula_units_Z   6
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  Tl18  1  0.0  0.09  0.78  1.0
  Tl  Tl19  1  0.0  0.33  0.37  1.0
  Tl  Tl20  1  0.0  0.85  0.37  1.0
  Tl  Tl21  1  0.96  0.0  0.15  1.0
  Tl  Tl22  1  0.96  0.41  0.57  1.0
  Tl  Tl23  1  0.96  0.76  0.57  1.0
  Pt  Pt0  1  0.44  0.39  0.89  1.0
  Pt  Pt1  1  0.44  0.79  0.89  1.0
  Pt  Pt2  1  0.47  0.09  0.32  1.0
  Pt  Pt3  1  0.4  0.0  0.61  1.0
  Pt  Pt4  1  0.44  0.48  0.04  1.0
  Pt  Pt5  1  0.44  0.7  0.04  1.0
  Pt  Pt6  1  0.0  0.0  0.29  1.0
  Pt  Pt7  1  0.0  0.45  0.57  1.0
  Pt  Pt8  1  0.0  0.73  0.57  1.0
  Pt  Pt9  1  0.48  0.39  0.89  1.0
  Pt  Pt10  1  0.48  0.79  0.89  1.0
  Pt  Pt11  1  0.44  0.09  0.32  1.0
  Pt  Pt12  1  0.52  0.0  0.61  1.0
  Pt  Pt13  1  0.48  0.48  0.04  1.0
  Pt  Pt14  1  0.48  0.7  0.04  1.0
  Pt  Pt15  1  0.96  0.09  0.64  1.0
  Pt  Pt16  1  0.96  0.36  0.37  1.0
  Pt  Pt17  1  0.96  0.82  0.37  1.0

data_TlPt3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.94
_cell_length_b   5.92
_cell_length_c   14.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlPt3
_chemical_formula_sum   'Tl6 Pt18'
_cell_volume   414.24
_cell_formula_units_Z   6
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  0.15  0.96  0.0  1.0
  Tl  Tl1  1  0.37  0.0  0.33  1.0
  Tl  Tl2  1  0.37  0.0  0.85  1.0
  Tl  Tl3  1  0.57  0.96  0.41  1.0
  Tl  Tl4  1  0.57  0.96  0.76  1.0
  Tl  Tl5  1  0.78  0.0  0.09  1.0
  Pt  Pt6  1  0.04  0.44  0.48  1.0
  Pt  Pt7  1  0.04  0.44  0.7  1.0
  Pt  Pt8  1  0.04  0.48  0.48  1.0
  Pt  Pt9  1  0.04  0.48  0.7  1.0
  Pt  Pt10  1  0.29  0.0  0.0  1.0
  Pt  Pt11  1  0.32  0.44  0.09  1.0
  Pt  Pt12  1  0.32  0.47  0.09  1.0
  Pt  Pt13  1  0.37  0.96  0.36  1.0
  Pt  Pt14  1  0.37  0.96  0.82  1.0
  Pt  Pt15  1  0.57  0.0  0.73  1.0
  Pt  Pt16  1  0.57  0.0  0.45  1.0
  Pt  Pt17  1  0.61  0.4  0.0  1.0
  Pt  Pt18  1  0.61  0.52  0.0  1.0
  Pt  Pt19  1  0.64  0.96  0.09  1.0
  Pt  Pt20  1  0.89  0.44  0.39  1.0
  Pt  Pt21  1  0.89  0.44  0.79  1.0
  Pt  Pt22  1  0.89  0.48  0.39  1.0
  Pt  Pt23  1  0.89  0.48  0.79  1.0

Tl Tl Tl Tl Tl Tl Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt