data_[Li12Si4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Si  1.9000  1.1000  0.5400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4200]
_cell_length_b [8.2207]
_cell_length_c [5.5392]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.3527]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3SiN3]
_chemical_formula_sum '[Li12 Si4 N12]'
_cell_volume [291.4973]
_cell_formula_units_Z [4]
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  4  0.0000  0.2028  0.5000  1
  Li  Li1  4  0.0000  0.2993  0.0000  1
  Li  Li2  4  0.1507  0.5000  0.3892  1
  Si  Si3  4  0.1606  0.0000  0.1204  1
  N  N4  8  0.1471  0.3877  0.7257  1
  N  N5  4  0.0993  0.0000  0.8050  1
]