data_TlPPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.08
_cell_length_b   7.08
_cell_length_c   7.08
_cell_angle_alpha   153.95
_cell_angle_beta   150.75
_cell_angle_gamma   39.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlPPt2
_chemical_formula_sum   'Tl1 P1 Pt2'
_cell_volume   76.17
_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  0.0  0.79  0.7  1.0
  P  P0  1  0.0  0.0  0.5  1.0
  Pt  Pt1  1  0.0  0.79  0.59  1.0
  Pt  Pt2  1  0.0  0.0  0.2  1.0

data_TlPPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   3.58
_cell_length_c   7.08
_cell_angle_alpha   104.62
_cell_angle_beta   103.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlPPt2
_chemical_formula_sum   'Tl1 P1 Pt2'
_cell_volume   76.17
_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  0.3  0.09  0.09  1.0
  P  P1  1  0.5  0.5  0.5  1.0
  Pt  Pt2  1  0.41  0.19  0.19  1.0
  Pt  Pt3  1  0.8  0.8  0.8  1.0

Tl P Pt Pt