data_Tl2SnRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   3.31
_cell_length_c   8.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2SnRh
_chemical_formula_sum   'Tl2 Sn1 Rh1'
_cell_volume   97.12
_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  0.0  0.0  0.72  1.0
  Tl  Tl3  1  0.66  0.66  0.69  1.0
  Sn  Sn1  1  0.66  0.66  0.06  1.0
  Rh  Rh0  1  0.0  0.0  0.63  1.0

data_Tl2SnRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   8.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl2SnRh
_chemical_formula_sum   'Tl4 Sn2 Rh2'
_cell_volume   194.24
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.72  1.0
  Tl  Tl1  2  0.16  0.5  0.69  1.0
  Sn  Sn2  2  0.16  0.5  0.06  1.0
  Rh  Rh3  2  0.0  0.0  0.63  1.0

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