data_TlSn2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   3.56
_cell_length_c   7.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSn2Rh
_chemical_formula_sum   'Tl1 Sn2 Rh1'
_cell_volume   93.62
_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  0.65  0.78  0.28  1.0
  Sn  Sn1  1  0.65  0.78  0.54  1.0
  Sn  Sn2  1  0.0  0.0  0.72  1.0
  Rh  Rh0  1  0.0  0.0  0.35  1.0

data_TlSn2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   3.56
_cell_length_c   7.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSn2Rh
_chemical_formula_sum   'Tl1 Sn2 Rh1'
_cell_volume   93.62
_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  0.65  0.78  0.28  1.0
  Sn  Sn1  1  0.0  0.0  0.72  1.0
  Sn  Sn2  1  0.65  0.78  0.54  1.0
  Rh  Rh3  1  0.0  0.0  0.35  1.0

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