data_Pb3Cl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54
_cell_length_b   6.54
_cell_length_c   5.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pb3Cl4
_chemical_formula_sum   'Pb3 Cl4'
_cell_volume   197.52
_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
  Pb  Pb4  1  0.64  0.83  0.67  1.0
  Pb  Pb5  1  0.27  0.0  0.67  1.0
  Pb  Pb6  1  0.36  0.83  0.67  1.0
  Cl  Cl0  1  0.0  0.0  1.0  1.0
  Cl  Cl1  1  0.0  0.0  0.33  1.0
  Cl  Cl2  1  0.0  0.78  0.0  1.0
  Cl  Cl3  1  0.27  0.89  0.0  1.0

data_Pb3Cl4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.33
_cell_length_b   6.54
_cell_length_c   6.54
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pb3Cl4
_chemical_formula_sum   'Pb3 Cl4'
_cell_volume   197.52
_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
  Pb  Pb0  1  0.67  0.27  0.0  1.0
  Pb  Pb1  1  0.67  0.36  0.83  1.0
  Pb  Pb2  1  0.67  0.64  0.83  1.0
  Cl  Cl3  1  -0.0  0.27  0.89  1.0
  Cl  Cl4  1  -0.0  0.0  0.78  1.0
  Cl  Cl5  1  0.33  0.0  0.0  1.0
  Cl  Cl6  1  1.0  0.0  0.0  1.0

Pb Pb Pb Cl Cl Cl Cl