data_[La10Yb2S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Yb  1.1000  1.7500  1.0840
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [8.6993]
_cell_length_b [8.6993]
_cell_length_c [8.7216]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [La5YbS8]
_chemical_formula_sum '[La10 Yb2 S16]'
_cell_volume [660.0235]
_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
[
  La  La0  8  0.1278  0.7515  0.3707  1
  Yb  Yb1  2  0.0000  0.0000  0.0000  1
  La  La2  2  0.0000  0.5000  0.7500  1
  S  S3  8  0.0701  0.6800  0.0477  1
  S  S4  8  0.0766  0.8245  0.6963  1
]