data_TePb2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.91
_cell_length_b   3.91
_cell_length_c   7.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TePb2Cl
_chemical_formula_sum   'Te1 Pb2 Cl1'
_cell_volume   118.9
_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
  Te  Te3  1  0.0  0.0  0.88  1.0
  Pb  Pb1  1  0.96  0.96  0.04  1.0
  Pb  Pb2  1  0.96  0.96  0.72  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_TePb2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   7.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TePb2Cl
_chemical_formula_sum   'Te2 Pb4 Cl2'
_cell_volume   237.79
_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
  Te  Te0  2  0.0  0.0  0.88  1.0
  Pb  Pb1  2  0.46  0.5  0.04  1.0
  Pb  Pb2  2  0.46  0.5  0.72  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

Te Pb Pb Cl
Te Pb Pb Cl 0 3 o o + 0 2 - - o 1 3 + + o 