data_[Y8H20]
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
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.1179]
_cell_length_b [5.1179]
_cell_length_c [10.3381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [Y2H5]
_chemical_formula_sum '[Y8 H20]'
_cell_volume [270.7862]
_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  8  0.0000  0.0000  0.2525  1
  H  H1  16  0.2317  0.2500  0.1250  1
  H  H2  4  0.0000  0.0000  0.5000  1
]