data_TlHgPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35
_cell_length_b   6.35
_cell_length_c   6.35
_cell_angle_alpha   152.54
_cell_angle_beta   144.6
_cell_angle_gamma   45.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlHgPt
_chemical_formula_sum   'Tl1 Hg1 Pt1'
_cell_volume   68.19
_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  Tl2  1  0.0  0.0  0.66  1.0
  Hg  Hg0  1  0.0  0.0  0.3  1.0
  Pt  Pt1  1  0.0  0.0  0.75  1.0

data_TlHgPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   3.86
_cell_length_c   6.35
_cell_angle_alpha   107.7
_cell_angle_beta   103.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlHgPt
_chemical_formula_sum   'Tl1 Hg1 Pt1'
_cell_volume   68.19
_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  0.34  0.34  0.34  1.0
  Hg  Hg1  1  0.7  0.7  0.7  1.0
  Pt  Pt2  1  0.25  0.25  0.25  1.0

Tl Hg Pt
Tl Hg Pt 0 2 o o o 0 1 o o o 