data_[Dy2Fe4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Fe  1.8300  1.4000  0.8525
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7455]
_cell_length_b [10.3388]
_cell_length_c [6.5584]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.0981]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Dy(FeBr4)2]
_chemical_formula_sum '[Dy2 Fe4 Br16]'
_cell_volume [862.0100]
_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
[
  Dy  Dy0  2  0.0000  0.0000  0.0000  1
  Fe  Fe1  4  0.1942  0.0000  0.6427  1
  Br  Br2  8  0.0974  0.1857  0.7653  1
  Br  Br3  4  0.1330  0.5000  0.2330  1
  Br  Br4  4  0.1851  0.0000  0.2713  1
]