data_TePbCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.15
_cell_length_b   7.15
_cell_length_c   4.86
_cell_angle_alpha   106.22
_cell_angle_beta   106.22
_cell_angle_gamma   29.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TePbCl2
_chemical_formula_sum   'Te1 Pb1 Cl2'
_cell_volume   116.01
_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  0.24  0.0  0.25  1.0
  Pb  Pb2  1  0.77  0.0  0.14  1.0
  Cl  Cl0  1  0.13  0.0  0.04  1.0
  Cl  Cl1  1  0.53  0.0  0.54  1.0

data_TePbCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   4.86
_cell_length_c   7.15
_cell_angle_alpha   106.22
_cell_angle_beta   104.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TePbCl2
_chemical_formula_sum   'Te1 Pb1 Cl2'
_cell_volume   116.01
_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  Te0  1  0.0  0.25  0.24  1.0
  Pb  Pb1  1  0.0  0.14  0.77  1.0
  Cl  Cl2  1  0.0  0.04  0.13  1.0
  Cl  Cl3  1  0.0  0.54  0.53  1.0

Te Pb Cl Cl