data_[Cs4Pr2S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pr  1.1300  1.8500  1.0600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [6.6877]
_cell_length_b [25.7699]
_cell_length_c [5.1395]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Cs2PrS10]
_chemical_formula_sum '[Cs4 Pr2 S20]'
_cell_volume [885.7392]
_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
[
  Cs  Cs0  4  0.0288  0.3659  0.5000  1
  Pr  Pr1  2  0.0000  0.0000  0.0000  1
  S  S2  8  0.0294  0.0940  0.3013  1
  S  S3  4  0.0911  0.4681  0.0000  1
  S  S4  4  0.1641  0.7855  0.0000  1
  S  S5  4  0.2365  0.2151  0.0000  1
]