data_Fe2PbCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   4.86
_cell_angle_alpha   99.75
_cell_angle_beta   99.75
_cell_angle_gamma   32.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2PbCl
_chemical_formula_sum   'Fe2 Pb1 Cl1'
_cell_volume   80.32
_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
  Fe  Fe1  1  0.6  0.0  0.02  1.0
  Fe  Fe2  1  0.59  0.0  0.96  1.0
  Pb  Pb3  1  0.73  0.0  0.18  1.0
  Cl  Cl0  1  0.97  0.0  0.02  1.0

data_Fe2PbCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.86
_cell_length_c   5.61
_cell_angle_alpha   99.75
_cell_angle_beta   106.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2PbCl
_chemical_formula_sum   'Fe2 Pb1 Cl1'
_cell_volume   80.32
_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
  Fe  Fe0  1  0.0  0.02  0.6  1.0
  Fe  Fe1  1  0.0  0.96  0.59  1.0
  Pb  Pb2  1  0.0  0.18  0.73  1.0
  Cl  Cl3  1  0.0  0.02  0.97  1.0

Fe Fe Pb Cl
Fe Fe Pb Cl 0 1 o o - 0 2 o o o 2 3 o o o 