data_[Y24H3C9S9]
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
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.4225]
_cell_length_b [7.4225]
_cell_length_c [18.6655]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Y8H(CS)3]
_chemical_formula_sum '[Y24 H3 C9 S9]'
_cell_volume [890.5775]
_cell_formula_units_Z [3]
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  18  0.0202  0.5101  0.2583  1.0
  Y  Y1  6  0.0000  0.0000  0.2616  1.0
  H  H2  3  0.0000  0.0000  0.0000  1.0
  C  C3  9  0.0000  0.5000  0.0000  1.0
  S  S4  9  0.0000  0.5000  0.5000  1.0
]