data_[Y8H4I8]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [22.0166]
_cell_length_b [3.9637]
_cell_length_c [6.8943]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5342]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2HI2]
_chemical_formula_sum '[Y8 H4 I8]'
_cell_volume [598.8478]
_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  0.1878  0.0000  0.8940  1.0
  Y  Y1  4  0.1880  0.5000  0.3978  1.0
  H  H2  4  0.2105  0.0000  0.5668  1.0
  I  I3  4  0.0909  0.5000  0.6974  1.0
  I  I4  4  0.0926  0.0000  0.1994  1.0
]