data_[Y4H4Se8]
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 [Cc]
_cell_length_a [8.1394]
_cell_length_b [8.0732]
_cell_length_c [7.3287]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.8215]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [YHSe2]
_chemical_formula_sum '[Y4 H4 Se8]'
_cell_volume [404.6993]
_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  0.2828  0.1320  0.7637  1.0
  H  H1  4  0.1614  0.2599  0.2491  1.0
  Se  Se2  4  0.0089  0.3742  0.7115  1.0
  Se  Se3  4  0.0396  0.1273  0.2583  1.0
]