data_[Dy8H4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9195]
_cell_length_b [3.8155]
_cell_length_c [11.2912]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.0978]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Dy2HBr3]
_chemical_formula_sum '[Dy8 H4 Br12]'
_cell_volume [653.9939]
_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  0.0735  0.5000  0.4617  1.0
  Dy  Dy1  4  0.1385  0.0000  0.7957  1.0
  H  H2  4  0.0782  0.5000  0.6661  1.0
  Br  Br3  4  0.0355  0.0000  0.2448  1.0
  Br  Br4  4  0.1661  0.5000  0.0106  1.0
  Br  Br5  4  0.2121  0.0000  0.6188  1.0
]