data_TlMo2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   3.97
_cell_length_c   5.97
_cell_angle_alpha   90.0
_cell_angle_beta   93.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlMo2Rh
_chemical_formula_sum   'Tl1 Mo2 Rh1'
_cell_volume   68.8
_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  0.2  0.98  0.42  1.0
  Mo  Mo0  1  0.2  0.0  0.14  1.0
  Mo  Mo1  1  0.15  0.98  0.47  1.0
  Rh  Rh2  1  0.69  0.0  0.91  1.0

data_TlMo2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   3.97
_cell_length_c   5.97
_cell_angle_alpha   90.0
_cell_angle_beta   93.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlMo2Rh
_chemical_formula_sum   'Tl1 Mo2 Rh1'
_cell_volume   68.8
_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  0.2  0.98  0.42  1.0
  Mo  Mo1  1  0.15  0.98  0.47  1.0
  Mo  Mo2  1  0.2  0.0  0.14  1.0
  Rh  Rh3  1  0.69  0.0  0.91  1.0

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