data_[Dy4H4Br12]
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 [P2/c]
_cell_length_a [7.7056]
_cell_length_b [7.5433]
_cell_length_c [13.1422]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6467]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [DyHBr3]
_chemical_formula_sum '[Dy4 H4 Br12]'
_cell_volume [723.8045]
_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  0.0001  0.2500  0.4162  1.0
  H  H1  4  0.0516  0.2313  0.7613  1.0
  Br  Br2  4  0.2427  0.4765  0.5633  1.0
  Br  Br3  4  0.2430  0.0226  0.0287  1.0
  Br  Br4  4  0.2460  0.2506  0.2961  1.0
]