data_[Cs4Pr4Hf2Se12]
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
  Hf  1.3000  1.5500  0.8500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3572]
_cell_length_b [12.5989]
_cell_length_c [8.9474]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6352]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Pr2HfSe6]
_chemical_formula_sum '[Cs4 Pr4 Hf2 Se12]'
_cell_volume [794.6429]
_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  0.0000  0.1723  0.0000  1.0
  Pr  Pr1  4  0.0000  0.3331  0.5000  1.0
  Hf  Hf2  2  0.0000  0.0000  0.5000  1.0
  Se  Se3  8  0.2176  0.1524  0.6840  1.0
  Se  Se4  4  0.2395  0.0000  0.3176  1.0
]