data_TlBiRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.33
_cell_length_b   8.33
_cell_length_c   8.33
_cell_angle_alpha   23.47
_cell_angle_beta   23.47
_cell_angle_gamma   23.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlBiRh2
_chemical_formula_sum   'Tl1 Bi1 Rh2'
_cell_volume   80.41
_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  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.14  1.0
  Rh  Rh1  1  0.0  0.0  0.24  1.0
  Rh  Rh2  1  0.0  0.0  0.04  1.0

data_TlBiRh2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.87
_cell_length_b   3.39
_cell_length_c   8.33
_cell_angle_alpha   90.0
_cell_angle_beta   103.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlBiRh2
_chemical_formula_sum   'Tl2 Bi2 Rh4'
_cell_volume   160.83
_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  0.0  1.0
  Bi  Bi1  2  0.0  0.0  0.86  1.0
  Rh  Rh2  2  0.0  0.0  0.76  1.0
  Rh  Rh3  2  0.0  0.0  0.96  1.0

Tl Bi Rh Rh