data_TlRhBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.88
_cell_length_b   6.88
_cell_length_c   6.88
_cell_angle_alpha   143.99
_cell_angle_beta   143.99
_cell_angle_gamma   51.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlRhBr2
_chemical_formula_sum   'Tl1 Rh1 Br2'
_cell_volume   112.1
_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  0.13  0.1  1.0
  Rh  Rh2  1  0.0  0.0  0.19  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0
  Br  Br1  1  0.13  0.0  0.1  1.0

data_TlRhBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   6.88
_cell_angle_alpha   108.0
_cell_angle_beta   108.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlRhBr2
_chemical_formula_sum   'Tl1 Rh1 Br2'
_cell_volume   112.1
_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  0.03  0.13  0.03  1.0
  Rh  Rh1  1  0.81  0.0  0.81  1.0
  Br  Br2  1  0.0  0.0  0.0  1.0
  Br  Br3  1  0.9  0.0  0.03  1.0

Tl Rh Br Br
Tl Rh Br Br 0 2 o o o 0 1 o o o 1 3 o o o 1 2 o o o 2 3 o o o 