data_TlSb2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   3.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSb2Rh
_chemical_formula_sum   'Tl1 Sb2 Rh1'
_cell_volume   92.94
_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  0.1  0.0  0.0  1.0
  Sb  Sb1  1  0.55  0.1  0.78  1.0
  Sb  Sb2  1  0.55  0.9  0.78  1.0
  Rh  Rh0  1  0.0  0.0  0.0  1.0

data_TlSb2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   107.08
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSb2Rh
_chemical_formula_sum   'Tl1 Sb2 Rh1'
_cell_volume   92.94
_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  0.1  0.0  1.0
  Sb  Sb1  1  0.78  0.55  0.9  1.0
  Sb  Sb2  1  0.78  0.55  0.1  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

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