data_TlBiRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   5.56
_cell_length_c   5.56
_cell_angle_alpha   34.86
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlBiRh2
_chemical_formula_sum   'Tl1 Bi1 Rh2'
_cell_volume   79.92
_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  0.0  0.0  0.41  1.0
  Bi  Bi0  1  0.26  0.0  0.44  1.0
  Rh  Rh1  1  0.0  0.0  0.7  1.0
  Rh  Rh2  1  0.26  0.0  0.54  1.0

data_TlBiRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.52
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   107.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlBiRh2
_chemical_formula_sum   'Tl1 Bi1 Rh2'
_cell_volume   79.92
_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  0.59  0.0  0.59  1.0
  Bi  Bi1  1  0.56  0.26  0.56  1.0
  Rh  Rh2  1  0.3  0.0  0.3  1.0
  Rh  Rh3  1  0.46  0.26  0.46  1.0

Tl Bi Rh Rh
Tl Bi Rh Rh 0 3 o o o 0 1 o o o 0 2 o o o 1 3 o o o 2 3 o o o 