data_TlRh2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   4.69
_cell_angle_alpha   122.34
_cell_angle_beta   122.34
_cell_angle_gamma   86.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlRh2Cl
_chemical_formula_sum   'Tl1 Rh2 Cl1'
_cell_volume   70.35
_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  0.43  1.0
  Rh  Rh1  1  0.26  0.0  0.72  1.0
  Rh  Rh2  1  0.0  0.26  0.72  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_TlRh2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.4
_cell_length_b   6.4
_cell_length_c   4.69
_cell_angle_alpha   90.0
_cell_angle_beta   133.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlRh2Cl
_chemical_formula_sum   'Tl2 Rh4 Cl2'
_cell_volume   140.7
_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  0.43  1.0
  Rh  Rh1  4  0.37  0.37  0.45  1.0
  Cl  Cl2  2  0.0  0.0  0.0  1.0

Tl Rh Rh Cl