data_[Mg4Fe8Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  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 [12.3420]
_cell_length_b [11.2970]
_cell_length_c [6.6680]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6542]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mg(FeCl3)2]
_chemical_formula_sum '[Mg4 Fe8 Cl24]'
_cell_volume [913.6681]
_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
[
  Mg  Mg0  4  0.0000  0.1018  0.7500  1.0
  Fe  Fe1  8  0.1953  0.4126  0.8135  1.0
  Cl  Cl2  8  0.1109  0.0743  0.1134  1.0
  Cl  Cl3  8  0.1286  0.2447  0.6432  1.0
  Cl  Cl4  8  0.1309  0.4255  0.1134  1.0
]