data_[Y8H4Se12]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.8083]
_cell_length_b [3.9058]
_cell_length_c [11.8307]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Y2HSe3]
_chemical_formula_sum '[Y8 H4 Se12]'
_cell_volume [499.4347]
_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  0.0503  0.7500  0.8249  1
  Y  Y1  4  0.1961  0.7500  0.4839  1
  H  H2  4  0.1355  0.2500  0.8762  1
  Se  Se3  4  0.0668  0.2500  0.6278  1
  Se  Se4  4  0.1200  0.7500  0.0651  1
  Se  Se5  4  0.1809  0.2500  0.3072  1
]