data_AlTl2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06
_cell_length_b   6.06
_cell_length_c   6.06
_cell_angle_alpha   134.18
_cell_angle_beta   134.18
_cell_angle_gamma   66.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTl2Pb
_chemical_formula_sum   'Al1 Tl2 Pb1'
_cell_volume   112.55
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.0  0.36  0.53  1.0
  Tl  Tl3  1  0.36  0.0  0.53  1.0
  Pb  Pb1  1  0.0  0.0  0.06  1.0

data_AlTl2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.67
_cell_length_b   6.67
_cell_length_c   6.06
_cell_angle_alpha   90.0
_cell_angle_beta   123.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlTl2Pb
_chemical_formula_sum   'Al2 Tl4 Pb2'
_cell_volume   225.11
_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
  Al  Al0  2  0.0  0.0  0.0  1.0
  Tl  Tl1  4  0.32  0.32  0.17  1.0
  Pb  Pb2  2  0.0  0.0  0.06  1.0

Al Tl Tl Pb
Al Tl Tl Pb 0 3 o o o 0 1 o o o 0 2 o o o 1 3 o o o 1 2 o o o 2 3 o o o 