data_TlRhPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   3.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlRhPb2
_chemical_formula_sum   'Tl1 Rh1 Pb2'
_cell_volume   99.4
_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  0.26  0.0  0.0  1.0
  Rh  Rh2  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.63  0.85  0.77  1.0
  Pb  Pb1  1  0.63  0.15  0.77  1.0

data_TlRhPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   105.71
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlRhPb2
_chemical_formula_sum   'Tl1 Rh1 Pb2'
_cell_volume   99.4
_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  0.26  0.0  1.0
  Rh  Rh1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.77  0.63  0.15  1.0
  Pb  Pb3  1  0.77  0.63  0.85  1.0

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