data_[Ba2Na1Pr1Se4]
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 [P2/m]
_cell_length_a [7.7847]
_cell_length_b [4.5267]
_cell_length_c [7.8044]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8571]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba2NaPrSe4]
_chemical_formula_sum '[Ba2 Na1 Pr1 Se4]'
_cell_volume [260.2582]
_cell_formula_units_Z [1]
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  1  0.5000  0.0000  0.5000  1.0
  Ba  Ba1  1  0.5000  0.5000  0.0000  1.0
  Na  Na2  1  0.0000  0.5000  0.5000  1.0
  Pr  Pr3  1  0.0000  0.0000  0.0000  1.0
  Se  Se4  2  0.2239  0.5000  0.2351  1.0
  Se  Se5  2  0.2301  0.0000  0.7560  1.0
]