data_[Y8H4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [17.8572]
_cell_length_b [3.8420]
_cell_length_c [11.2850]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.8430]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2HBr3]
_chemical_formula_sum '[Y8 H4 Br12]'
_cell_volume [657.7057]
_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
[
  Y  Y0  4  0.0745  0.5000  0.4620  1.0
  Y  Y1  4  0.1380  0.0000  0.7950  1.0
  H  H2  4  0.0779  0.5000  0.6656  1.0
  Br  Br3  4  0.0373  0.0000  0.2448  1.0
  Br  Br4  4  0.1652  0.5000  0.0100  1.0
  Br  Br5  4  0.2137  0.0000  0.6190  1.0
]