data_[Y6U4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  U  1.3800  1.7500  0.9913
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0164]
_cell_length_b [7.8676]
_cell_length_c [6.6335]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8140]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y3(US4)2]
_chemical_formula_sum '[Y6 U4 S16]'
_cell_volume [688.2059]
_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  0.0000  0.2613  0.0000  1
  Y  Y1  2  0.0000  0.0000  0.5000  1
  U  U2  4  0.2384  0.5000  0.6637  1
  S  S3  8  0.1261  0.2314  0.4151  1
  S  S4  4  0.1111  0.5000  0.8896  1
  S  S5  4  0.1170  0.0000  0.9275  1
]