data_[Ca2Fe1Pb1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Fe  1.8300  1.4000  0.8525
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.2660]
_cell_length_b [8.2606]
_cell_length_c [6.4706]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5452]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ca2FePbCl8]
_chemical_formula_sum '[Ca2 Fe1 Pb1 Cl8]'
_cell_volume [334.9104]
_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
[
  Ca  Ca0  2  0.5000  0.2361  0.5000  1.0
  Fe  Fe1  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  1  0.0000  0.5000  0.0000  1.0
  Cl  Cl3  4  0.2144  0.2153  0.1674  1.0
  Cl  Cl4  2  0.2652  0.0000  0.6902  1.0
  Cl  Cl5  2  0.2855  0.5000  0.6550  1.0
]