data_[Cs9Y9Zr3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Y  1.2200  1.8000  1.0400
  Zr  1.3300  1.5500  0.8600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.9986]
_cell_length_b [7.9986]
_cell_length_c [24.6564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs3Y3ZrS8]
_chemical_formula_sum '[Cs9 Y9 Zr3 S24]'
_cell_volume [1366.1251]
_cell_formula_units_Z [3]
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
[
  Cs  Cs0  9  0.0000  0.5000  0.5000  1.0
  Y  Y1  9  0.0000  0.5000  0.0000  1.0
  Zr  Zr2  3  0.0000  0.0000  0.0000  1.0
  S  S3  18  0.0165  0.5083  0.7252  1.0
  S  S4  6  0.0000  0.0000  0.2730  1.0
]