data_[Cs4Dy4Pb4S12]
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
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [16.0721]
_cell_length_b [4.1005]
_cell_length_c [12.2657]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CsDyPbS3]
_chemical_formula_sum '[Cs4 Dy4 Pb4 S12]'
_cell_volume [808.3554]
_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  0.2352  0.7500  0.5925  1
  Dy  Dy1  4  0.0015  0.2500  0.1380  1
  Pb  Pb2  4  0.0414  0.7500  0.3954  1
  S  S3  4  0.0812  0.2500  0.7472  1
  S  S4  4  0.0908  0.7500  0.0448  1
  S  S5  4  0.1247  0.2500  0.3040  1
]