data_[Li12I2N2Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  I  2.6600  1.4000  1.2733
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0980]
_cell_length_b [5.9690]
_cell_length_c [5.9060]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.3742]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li6INCl2]
_chemical_formula_sum '[Li12 I2 N2 Cl4]'
_cell_volume [382.0965]
_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
[
  Li  Li0  8  0.1036  0.2813  0.9408  1.0
  Li  Li1  4  0.1104  0.5000  0.3568  1.0
  I  I2  2  0.0000  0.0000  0.5000  1.0
  N  N3  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl4  4  0.2453  0.5000  0.7971  1.0
]