data_[Cs2Dy2Fe4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Dy  1.2200  1.7500  1.1310
  Fe  1.8300  1.4000  0.8525
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9848]
_cell_length_b [7.4082]
_cell_length_c [10.1755]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.0943]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsDy(FeCl4)2]
_chemical_formula_sum '[Cs2 Dy2 Fe4 Cl16]'
_cell_volume [819.8176]
_cell_formula_units_Z [2]
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
[
  Cs  Cs0  2  0.0000  0.0000  0.5000  1.0
  Dy  Dy1  2  0.0000  0.0000  0.0000  1.0
  Fe  Fe2  4  0.1145  0.5000  0.7888  1.0
  Cl  Cl3  8  0.0126  0.2499  0.1927  1.0
  Cl  Cl4  4  0.1916  0.5000  0.5993  1.0
  Cl  Cl5  4  0.2419  0.0000  0.0172  1.0
]