data_TlRe2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   136.57
_cell_angle_beta   136.57
_cell_angle_gamma   63.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlRe2Rh
_chemical_formula_sum   'Tl1 Re2 Rh1'
_cell_volume   65.41
_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
  Re  Re0  1  0.92  0.0  0.21  1.0
  Re  Re1  1  0.0  0.92  0.21  1.0
  Rh  Rh2  1  0.0  0.0  0.0  1.0

data_TlRe2Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   121.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlRe2Rh
_chemical_formula_sum   'Tl2 Re4 Rh2'
_cell_volume   130.82
_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
  Re  Re1  4  0.04  0.96  0.29  1.0
  Rh  Rh2  2  0.0  0.0  0.0  1.0

Tl Re Re Rh
Tl Re Re Rh 0 1 - o o 0 2 o - o 1 2 + - o 1 3 + o o 2 3 o + o 