data_Tl2CrPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52
_cell_length_b   3.52
_cell_length_c   8.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2CrPb
_chemical_formula_sum   'Tl2 Cr1 Pb1'
_cell_volume   105.71
_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  Tl2  1  0.76  0.76  0.72  1.0
  Tl  Tl3  1  0.76  0.76  0.81  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.0  0.0  0.27  1.0

data_Tl2CrPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   8.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl2CrPb
_chemical_formula_sum   'Tl4 Cr2 Pb2'
_cell_volume   211.43
_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
  Tl  Tl0  2  0.26  0.5  0.72  1.0
  Tl  Tl1  2  0.26  0.5  0.81  1.0
  Cr  Cr2  2  0.0  0.0  0.0  1.0
  Pb  Pb3  2  0.0  0.0  0.27  1.0

Tl Tl Cr Pb
Tl Tl Cr Pb 0 1 o o o 1 2 + + + 2 3 o o o 