data_[Cs4Li4Pr4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  Pr  1.1300  1.8500  1.0600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.3950]
_cell_length_b [12.6458]
_cell_length_c [10.5047]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.0100]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsLiPrCl5]
_chemical_formula_sum '[Cs4 Li4 Pr4 Cl20]'
_cell_volume [1140.0416]
_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  0.3425  0.2500  1.0
  Li  Li1  4  0.0000  0.3089  0.7500  1.0
  Pr  Pr2  4  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  8  0.0946  0.2009  0.6076  1.0
  Cl  Cl4  8  0.1957  0.4299  0.9104  1.0
  Cl  Cl5  4  0.0000  0.0720  0.2500  1.0
]