data_[Y8H4S10]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.0269]
_cell_length_b [3.9820]
_cell_length_c [7.4521]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1826]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y4H2S5]
_chemical_formula_sum '[Y8 H4 S10]'
_cell_volume [466.5566]
_cell_formula_units_Z [2]
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  0.0164  0.0000  0.7598  1
  Y  Y1  4  0.2112  0.5000  0.7226  1
  H  H2  4  0.0642  0.5000  0.6751  1
  S  S3  4  0.1457  0.0000  0.4615  1
  S  S4  4  0.1733  0.0000  0.9371  1
  S  S5  2  0.0000  0.5000  0.0000  1
]