data_TlMo2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   3.07
_cell_length_c   10.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlMo2Pb
_chemical_formula_sum   'Tl1 Mo2 Pb1'
_cell_volume   90.14
_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  0.24  1.0
  Mo  Mo0  1  0.68  0.0  0.05  1.0
  Mo  Mo1  1  0.0  0.0  0.2  1.0
  Pb  Pb2  1  0.68  0.0  0.59  1.0

data_TlMo2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   3.07
_cell_length_c   10.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlMo2Pb
_chemical_formula_sum   'Tl1 Mo2 Pb1'
_cell_volume   90.14
_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  0.0  0.24  1.0
  Mo  Mo1  1  0.0  0.0  0.2  1.0
  Mo  Mo2  1  0.68  0.0  0.05  1.0
  Pb  Pb3  1  0.68  0.0  0.59  1.0

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