data_[Cs12Dy4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Dy  1.2200  1.7500  1.1310
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.5213]
_cell_length_b [14.6969]
_cell_length_c [8.5757]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6435]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3DyS3]
_chemical_formula_sum '[Cs12 Dy4 S12]'
_cell_volume [1175.3286]
_cell_formula_units_Z [4]
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  4  0.0000  0.1848  0.5000  1.0
  Cs  Cs1  4  0.0000  0.2537  0.0000  1.0
  Cs  Cs2  4  0.1238  0.5000  0.3604  1.0
  Dy  Dy3  4  0.1741  0.0000  0.1425  1.0
  S  S4  8  0.1958  0.3576  0.7289  1.0
  S  S5  4  0.0959  0.0000  0.8259  1.0
]