data_TlRh2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   3.26
_cell_angle_alpha   107.43
_cell_angle_beta   107.43
_cell_angle_gamma   111.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlRh2Br
_chemical_formula_sum   'Tl1 Rh2 Br1'
_cell_volume   77.13
_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  0.09  0.0  0.0  1.0
  Rh  Rh1  1  0.55  0.26  0.0  1.0
  Rh  Rh2  1  0.55  0.74  0.0  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_TlRh2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   5.24
_cell_length_c   5.47
_cell_angle_alpha   118.58
_cell_angle_beta   107.21
_cell_angle_gamma   90.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlRh2Br
_chemical_formula_sum   'Tl1 Rh2 Br1'
_cell_volume   77.13
_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  0.91  0.91  1.0
  Rh  Rh1  1  0.26  0.45  0.71  1.0
  Rh  Rh2  1  0.74  0.45  0.2  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Tl Rh Rh Br