data_[Y8Sb2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.1332]
_cell_length_b [11.4435]
_cell_length_c [4.0329]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Y4SbS3]
_chemical_formula_sum '[Y8 Sb2 S6]'
_cell_volume [375.3544]
_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  0.2607  0.0000  1
  Y  Y1  4  0.2274  0.5000  0.5000  1
  Sb  Sb2  2  0.0000  0.0000  0.0000  1
  S  S3  4  0.2500  0.2500  0.5000  1
  S  S4  2  0.0000  0.5000  0.0000  1
]