data_[Ba4Na4Pr8Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Pr  1.1300  1.8500  1.0600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.8145]
_cell_length_b [8.8277]
_cell_length_c [12.4643]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [BaNa(PrSe2)2]
_chemical_formula_sum '[Ba4 Na4 Pr8 Se16]'
_cell_volume [969.8698]
_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
[
  Ba  Ba0  4  0.2500  0.2500  0.2500  1.0
  Na  Na1  4  0.0000  0.0000  0.0000  1.0
  Pr  Pr2  4  0.0000  0.0000  0.5000  1.0
  Pr  Pr3  4  0.2500  0.2500  0.7500  1.0
  Se  Se4  8  0.0000  0.0172  0.7458  1.0
  Se  Se5  8  0.2402  0.2500  0.5090  1.0
]