data_[Li4Sn8N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sn  1.9600  1.4500  0.8300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [10.5009]
_cell_length_b [5.9853]
_cell_length_c [5.5450]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiSn2N3]
_chemical_formula_sum '[Li4 Sn8 N12]'
_cell_volume [348.5147]
_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  0.3410  0.0090  1.0
  Sn  Sn1  8  0.1606  0.1751  0.5064  1.0
  N  N2  8  0.1749  0.1581  0.8857  1.0
  N  N3  4  0.0000  0.3275  0.3858  1.0
]