data_TlPRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   3.7
_cell_length_c   6.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlPRh2
_chemical_formula_sum   'Tl1 P1 Rh2'
_cell_volume   69.04
_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  0.5  0.85  0.92  1.0
  P  P0  1  0.0  0.0  0.34  1.0
  Rh  Rh1  1  0.5  0.85  0.86  1.0
  Rh  Rh2  1  0.0  0.0  0.38  1.0

data_TlPRh2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.7
_cell_length_b   3.01
_cell_length_c   6.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TlPRh2
_chemical_formula_sum   'Tl1 P1 Rh2'
_cell_volume   69.04
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.85  0.0  0.92  1.0
  P  P1  1  0.0  0.5  0.34  1.0
  Rh  Rh2  1  0.0  0.5  0.38  1.0
  Rh  Rh3  1  0.85  0.0  0.86  1.0

Tl P Rh Rh
Tl P Rh Rh 0 2 o o o 1 3 o o o 