data_[Ba2Na1La1Se4]
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
  La  1.1000  1.9500  1.1720
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.8111]
_cell_length_b [4.5595]
_cell_length_c [7.8224]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9052]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba2NaLaSe4]
_chemical_formula_sum '[Ba2 Na1 La1 Se4]'
_cell_volume [263.5666]
_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  0.0000  0.5000  0.5000  1.0
  Ba  Ba1  1  0.5000  0.0000  0.5000  1.0
  Na  Na2  1  0.5000  0.5000  0.0000  1.0
  La  La3  1  0.0000  0.0000  0.0000  1.0
  Se  Se4  2  0.2363  0.5000  0.2257  1.0
  Se  Se5  2  0.2434  0.0000  0.7684  1.0
]