data_[Yb8Fe2S14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Fe  1.8300  1.4000  0.8525
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.0743]
_cell_length_b [3.8110]
_cell_length_c [10.3934]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7084]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Yb4FeS7]
_chemical_formula_sum '[Yb8 Fe2 S14]'
_cell_volume [503.1061]
_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
[
  Yb  Yb0  2  0.2002  0.5000  0.7697  1
  Yb  Yb1  2  0.2993  0.0000  0.1969  1
  Yb  Yb2  2  0.4178  0.5000  0.5491  1
  Yb  Yb3  2  0.4807  0.5000  0.0102  1
  Fe  Fe4  2  0.1154  0.0000  0.4181  1
  S  S5  2  0.0529  0.0000  0.7924  1
  S  S6  2  0.0639  0.5000  0.5239  1
  S  S7  2  0.1399  0.5000  0.1103  1
  S  S8  2  0.1756  0.5000  0.3264  1
  S  S9  2  0.2731  0.0000  0.5847  1
  S  S10  2  0.3302  0.0000  0.9456  1
  S  S11  2  0.4510  0.5000  0.2726  1
]