data_[Na2Ce4Pr6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ce  1.1200  1.8500  1.0800
  Pr  1.1300  1.8500  1.0600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5142]
_cell_length_b [4.2237]
_cell_length_c [8.5202]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4565]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaCe2(PrSe2)3]
_chemical_formula_sum '[Na2 Ce4 Pr6 Se12]'
_cell_volume [647.9764]
_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
[
  Na  Na0  2  0.0000  0.5000  0.0000  1
  Ce  Ce1  4  0.1669  0.0000  0.3356  1
  Pr  Pr2  4  0.1650  0.0000  0.8284  1
  Pr  Pr3  2  0.0000  0.5000  0.5000  1
  Se  Se4  4  0.0022  0.0000  0.2484  1
  Se  Se5  4  0.1657  0.5000  0.0850  1
  Se  Se6  4  0.1667  0.5000  0.5806  1
]