data_TlZnPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93
_cell_length_b   5.93
_cell_length_c   5.93
_cell_angle_alpha   131.84
_cell_angle_beta   131.84
_cell_angle_gamma   70.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZnPb2
_chemical_formula_sum   'Tl1 Zn1 Pb2'
_cell_volume   113.23
_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  0.0  0.0  0.84  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.42  0.0  0.42  1.0
  Pb  Pb1  1  0.0  0.42  0.42  1.0

data_TlZnPb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.84
_cell_length_b   6.84
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   125.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlZnPb2
_chemical_formula_sum   'Tl2 Zn2 Pb4'
_cell_volume   226.47
_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  0.16  0.0  0.16  1.0
  Zn  Zn1  2  0.0  0.0  0.0  1.0
  Pb  Pb2  4  0.29  0.29  1.0  1.0

Tl Zn Pb Pb