data_[La8Te4I2N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Te  2.1000  1.4000  1.2933
  I  2.6600  1.4000  1.2733
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.6439]
_cell_length_b [4.1445]
_cell_length_c [8.7463]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.0954]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La4Te2IN2]
_chemical_formula_sum '[La8 Te4 I2 N4]'
_cell_volume [558.8578]
_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  4  0.0397  0.5000  0.7460  1.0
  La  La1  4  0.2259  0.0000  0.1412  1.0
  Te  Te2  4  0.1216  0.0000  0.5519  1.0
  I  I3  2  0.0000  0.0000  0.0000  1.0
  N  N4  4  0.1764  0.5000  0.9693  1.0
]