data_TlInRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   4.63
_cell_angle_alpha   103.42
_cell_angle_beta   103.42
_cell_angle_gamma   34.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlInRh2
_chemical_formula_sum   'Tl1 In1 Rh2'
_cell_volume   72.15
_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  0.49  0.0  0.59  1.0
  In  In0  1  0.29  0.0  0.77  1.0
  Rh  Rh1  1  0.93  0.0  0.34  1.0
  Rh  Rh2  1  0.77  0.0  0.04  1.0

data_TlInRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.63
_cell_length_c   5.3
_cell_angle_alpha   103.42
_cell_angle_beta   107.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlInRh2
_chemical_formula_sum   'Tl1 In1 Rh2'
_cell_volume   72.15
_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  0.59  0.49  1.0
  In  In1  1  0.0  0.77  0.29  1.0
  Rh  Rh2  1  0.0  0.04  0.77  1.0
  Rh  Rh3  1  0.0  0.34  0.93  1.0

Tl In Rh Rh
Tl In Rh Rh 0 1 o o o 2 3 o o o 