data_[Cs4Pr4Pa4S16]
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
  Pa  1.5000  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.5153]
_cell_length_b [9.0051]
_cell_length_c [12.3015]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [CsPrPaS4]
_chemical_formula_sum '[Cs4 Pr4 Pa4 S16]'
_cell_volume [943.2889]
_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  0.2500  0.1357  1
  Pr  Pr1  4  0.0000  0.0000  0.5000  1
  Pa  Pa2  4  0.2500  0.2500  0.7500  1
  S  S3  8  0.0000  0.0571  0.7333  1
  S  S4  8  0.2125  0.2500  0.5306  1
]