data_MoPbCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   3.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoPbCl2
_chemical_formula_sum   'Mo1 Pb1 Cl2'
_cell_volume   96.0
_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
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.25  0.0  0.0  1.0
  Cl  Cl0  1  0.63  0.97  0.81  1.0
  Cl  Cl1  1  0.63  0.03  0.81  1.0

data_MoPbCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   102.72
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoPbCl2
_chemical_formula_sum   'Mo1 Pb1 Cl2'
_cell_volume   96.0
_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
  Mo  Mo0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  -0.0  0.25  0.0  1.0
  Cl  Cl2  1  0.81  0.63  0.03  1.0
  Cl  Cl3  1  0.81  0.63  0.97  1.0

Mo Pb Cl Cl