data_[Dy4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3521]
_cell_length_b [12.6845]
_cell_length_c [9.7937]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.4404]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [DyBr4]
_chemical_formula_sum '[Dy4 Br16]'
_cell_volume [912.5099]
_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
[
  Dy  Dy0  4  0.0000  0.1698  0.5000  1.0
  Br  Br1  8  0.1785  0.3129  0.3337  1.0
  Br  Br2  4  0.1081  0.0000  0.3328  1.0
  Br  Br3  4  0.1156  0.5000  0.9226  1.0
]