data_[Fe8Bi4Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Bi  2.0200  1.6000  1.0350
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.9233]
_cell_length_b [11.1637]
_cell_length_c [6.8237]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5104]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Fe2BiCl6]
_chemical_formula_sum '[Fe8 Bi4 Cl24]'
_cell_volume [1058.6566]
_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  8  0.1849  0.4085  0.6992  1
  Bi  Bi1  4  0.0000  0.0492  0.7500  1
  Cl  Cl2  8  0.1246  0.4400  0.3823  1
  Cl  Cl3  8  0.1355  0.2309  0.8205  1
  Cl  Cl4  8  0.1528  0.1107  0.3043  1
]