data_[Fe4Pb4Br4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4070]
_cell_length_b [9.3865]
_cell_length_c [8.9931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7497]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [FePbBrCl4]
_chemical_formula_sum '[Fe4 Pb4 Br4 Cl16]'
_cell_volume [997.4580]
_cell_formula_units_Z [4]
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  4  0.1380  0.5000  0.2689  1.0
  Pb  Pb1  4  0.1737  0.0000  0.1344  1.0
  Br  Br2  4  0.0380  0.0000  0.8074  1.0
  Cl  Cl3  8  0.1684  0.3154  0.1283  1.0
  Cl  Cl4  4  0.0332  0.5000  0.7157  1.0
  Cl  Cl5  4  0.2332  0.0000  0.5006  1.0
]