data_[Y10Sb2S10]
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 [C2/m]
_cell_length_a [12.6130]
_cell_length_b [5.7066]
_cell_length_c [8.0566]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4490]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y5SbS5]
_chemical_formula_sum '[Y10 Sb2 S10]'
_cell_volume [550.0899]
_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  0.1672  0.0000  0.8177  1
  Y  Y1  4  0.1711  0.0000  0.3491  1
  Y  Y2  2  0.0000  0.5000  0.0000  1
  Sb  Sb3  2  0.0000  0.0000  0.0000  1
  S  S4  4  0.1659  0.5000  0.3322  1
  S  S5  4  0.1736  0.5000  0.8428  1
  S  S6  2  0.0000  0.0000  0.5000  1
]