data_[Na2Pr6Y4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3897]
_cell_length_b [4.1822]
_cell_length_c [8.4077]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8418]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaPr3(YSe3)2]
_chemical_formula_sum '[Na2 Pr6 Y4 Se12]'
_cell_volume [627.8542]
_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  1.0
  Pr  Pr1  4  0.1607  0.0000  0.8258  1.0
  Pr  Pr2  2  0.0000  0.5000  0.5000  1.0
  Y  Y3  4  0.1644  0.0000  0.3369  1.0
  Se  Se4  4  0.0057  0.0000  0.2456  1.0
  Se  Se5  4  0.1681  0.5000  0.0936  1.0
  Se  Se6  4  0.1708  0.5000  0.5762  1.0
]