data_[Fe4Ag12Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Ag  1.9300  1.6000  1.0867
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [10.8015]
_cell_length_b [13.0242]
_cell_length_c [7.4463]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Fe(AgCl2)3]
_chemical_formula_sum '[Fe4 Ag12 Cl24]'
_cell_volume [1047.5552]
_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  0.0000  0.1776  0.5531  1.0
  Ag  Ag1  8  0.2072  0.0993  0.9560  1.0
  Ag  Ag2  4  0.0000  0.4417  0.9401  1.0
  Cl  Cl3  8  0.1671  0.4934  0.1944  1.0
  Cl  Cl4  8  0.1675  0.2265  0.4089  1.0
  Cl  Cl5  4  0.0000  0.0054  0.5599  1.0
  Cl  Cl6  4  0.0000  0.2296  0.8430  1.0
]