data_TeRhPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   4.26
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   106.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeRhPb2
_chemical_formula_sum   'Te1 Rh1 Pb2'
_cell_volume   114.74
_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
  Te  Te3  1  0.61  0.0  0.0  1.0
  Rh  Rh2  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.15  0.13  0.45  1.0
  Pb  Pb1  1  0.58  0.13  0.71  1.0

data_TeRhPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.26
_cell_length_b   5.21
_cell_length_c   5.37
_cell_angle_alpha   106.09
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeRhPb2
_chemical_formula_sum   'Te1 Rh1 Pb2'
_cell_volume   114.74
_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
  Te  Te0  1  0.0  0.39  0.0  1.0
  Rh  Rh1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.87  0.42  0.29  1.0
  Pb  Pb3  1  0.87  0.85  0.55  1.0

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