data_TlRhPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   3.36
_cell_length_c   8.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlRhPb2
_chemical_formula_sum   'Tl1 Rh1 Pb2'
_cell_volume   100.44
_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  0.34  0.0  0.72  1.0
  Rh  Rh2  1  0.0  0.0  0.43  1.0
  Pb  Pb0  1  0.0  0.0  0.08  1.0
  Pb  Pb1  1  0.34  0.0  0.15  1.0

data_TlRhPb2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.36
_cell_length_b   3.36
_cell_length_c   8.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TlRhPb2
_chemical_formula_sum   'Tl1 Rh1 Pb2'
_cell_volume   100.47
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.72  1.0
  Rh  Rh1  1  0.0  0.0  0.43  1.0
  Pb  Pb2  1  0.0  0.0  0.08  1.0
  Pb  Pb3  1  0.34  0.0  0.15  1.0

Tl Rh Pb Pb
Tl Rh Pb Pb 0 1 o o o 0 1 + o o 0 0 o + o 0 0 + o o 0 2 o o + 1 3 - o o 1 3 o o o 1 1 o + o 1 1 + o o 1 2 o o o 2 3 o o o 