data_[Ba2La2I4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  La  1.1000  1.9500  1.1720
  I  2.6600  1.4000  1.2733
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.4859]
_cell_length_b [4.4859]
_cell_length_c [18.8392]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [BaLaI2N]
_chemical_formula_sum '[Ba2 La2 I4 N2]'
_cell_volume [379.1021]
_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
[
  Ba  Ba0  2  0.0000  0.5000  0.8523  1
  La  La1  2  0.0000  0.5000  0.4483  1
  I  I2  2  0.0000  0.5000  0.0794  1
  I  I3  2  0.0000  0.5000  0.6817  1
  N  N4  2  0.0000  0.0000  0.5000  1
]