data_[Li12N2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [10.6750]
_cell_length_b [6.0188]
_cell_length_c [5.9572]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.2949]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li6NCl3]
_chemical_formula_sum '[Li12 N2 Cl6]'
_cell_volume [319.9302]
_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  0.0740  0.2775  0.3646  1
  Li  Li1  4  0.1964  0.5000  0.8339  1
  N  N2  2  0.0000  0.5000  0.5000  1
  Cl  Cl3  4  0.2488  0.0000  0.7179  1
  Cl  Cl4  2  0.0000  0.0000  0.0000  1
]