data_TlMo2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   2.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlMo2Rh
_chemical_formula_sum   'Tl1 Mo2 Rh1'
_cell_volume   67.48
_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  0.67  0.0  0.0  1.0
  Mo  Mo0  1  0.33  0.78  0.43  1.0
  Mo  Mo1  1  0.33  0.22  0.43  1.0
  Rh  Rh2  1  0.0  0.0  0.0  1.0

data_TlMo2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   118.04
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlMo2Rh
_chemical_formula_sum   'Tl1 Mo2 Rh1'
_cell_volume   67.48
_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  0.67  0.0  1.0
  Mo  Mo1  1  0.43  0.33  0.22  1.0
  Mo  Mo2  1  0.43  0.33  0.78  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

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