data_Tl2SbRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54
_cell_length_b   5.02
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2SbRh
_chemical_formula_sum   'Tl2 Sb1 Rh1'
_cell_volume   95.04
_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  Tl2  1  0.77  0.0  0.68  1.0
  Tl  Tl3  1  0.0  0.51  0.68  1.0
  Sb  Sb1  1  0.77  0.51  0.0  1.0
  Rh  Rh0  1  0.0  0.0  0.0  1.0

data_Tl2SbRh
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.54
_cell_length_b   5.02
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Tl2SbRh
_chemical_formula_sum   'Tl2 Sb1 Rh1'
_cell_volume   95.04
_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  0.0  0.5  0.68  1.0
  Tl  Tl1  1  0.77  0.0  0.68  1.0
  Sb  Sb2  1  0.77  0.5  0.0  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

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