data_LaTl2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.2
_cell_length_b   6.2
_cell_length_c   6.2
_cell_angle_alpha   134.09
_cell_angle_beta   134.09
_cell_angle_gamma   66.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTl2Pb
_chemical_formula_sum   'La1 Tl2 Pb1'
_cell_volume   120.91
_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
  La  La0  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.42  0.0  0.59  1.0
  Tl  Tl3  1  0.0  0.42  0.59  1.0
  Pb  Pb1  1  0.0  0.0  0.17  1.0

data_LaTl2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.84
_cell_length_b   6.84
_cell_length_c   6.2
_cell_angle_alpha   90.0
_cell_angle_beta   123.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaTl2Pb
_chemical_formula_sum   'La2 Tl4 Pb2'
_cell_volume   241.82
_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
  La  La0  2  0.0  0.0  0.0  1.0
  Tl  Tl1  4  0.12  0.29  0.83  1.0
  Pb  Pb2  2  0.33  0.5  0.83  1.0

La Tl Tl Pb
La Tl Tl Pb 0 3 o o o 1 3 o o o 2 3 o o o 