data_TlP2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   2.93
_cell_angle_alpha   95.39
_cell_angle_beta   95.39
_cell_angle_gamma   120.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlP2Pt
_chemical_formula_sum   'Tl1 P2 Pt1'
_cell_volume   73.55
_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  0.7  0.0  0.0  1.0
  P  P0  1  0.07  0.63  0.44  1.0
  P  P1  1  0.07  0.37  0.44  1.0
  Pt  Pt2  1  0.0  0.0  0.0  1.0

data_TlP2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   5.4
_cell_length_c   5.45
_cell_angle_alpha   60.3
_cell_angle_beta   84.61
_cell_angle_gamma   79.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlP2Pt
_chemical_formula_sum   'Tl1 P2 Pt1'
_cell_volume   73.55
_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  0.0  0.0  0.7  1.0
  P  P1  1  0.56  0.37  0.71  1.0
  P  P2  1  0.56  0.63  0.44  1.0
  Pt  Pt3  1  0.0  0.0  0.0  1.0

Tl P P Pt