data_TlHgRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.74
_cell_length_b   8.74
_cell_length_c   8.74
_cell_angle_alpha   20.84
_cell_angle_beta   20.84
_cell_angle_gamma   20.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlHgRh2
_chemical_formula_sum   'Tl1 Hg1 Rh2'
_cell_volume   73.91
_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  0.0  0.82  1.0
  Hg  Hg0  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.0  0.0  0.25  1.0
  Rh  Rh2  1  0.0  0.0  0.38  1.0

data_TlHgRh2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.47
_cell_length_b   3.16
_cell_length_c   8.74
_cell_angle_alpha   90.0
_cell_angle_beta   102.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlHgRh2
_chemical_formula_sum   'Tl2 Hg2 Rh4'
_cell_volume   147.82
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.18  1.0
  Hg  Hg1  2  0.0  0.0  0.0  1.0
  Rh  Rh2  2  0.0  0.0  0.62  1.0
  Rh  Rh3  2  0.0  0.0  0.75  1.0

Tl Hg Rh Rh