data_[La4Se2I4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Se  2.5500  1.1500  1.0133
  I  2.6600  1.4000  1.2733
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.3495]
_cell_length_b [12.1180]
_cell_length_c [7.8245]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [La2SeI2N]
_chemical_formula_sum '[La4 Se2 I4 N2]'
_cell_volume [412.4081]
_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
[
  La  La0  2  0.0000  0.3061  0.2338  1
  La  La1  2  0.5000  0.4297  0.8417  1
  Se  Se2  2  0.0000  0.4542  0.5492  1
  I  I3  2  0.0000  0.2172  0.8499  1
  I  I4  2  0.5000  0.1282  0.3854  1
  N  N5  2  0.5000  0.3900  0.1856  1
]