data_[Ba4Fe8Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Fe  1.8300  1.4000  0.8525
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.1122]
_cell_length_b [11.6036]
_cell_length_c [7.2477]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9038]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba(FeCl3)2]
_chemical_formula_sum '[Ba4 Fe8 Cl24]'
_cell_volume [1108.7151]
_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
[
  Ba  Ba0  4  0.0000  0.1653  0.7500  1.0
  Fe  Fe1  8  0.1984  0.4313  0.7059  1.0
  Cl  Cl2  8  0.1246  0.2763  0.5260  1.0
  Cl  Cl3  8  0.1275  0.0520  0.1599  1.0
  Cl  Cl4  8  0.1444  0.4160  0.9787  1.0
]