data_[Li12S2Br4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.8751]
_cell_length_b [8.8097]
_cell_length_c [6.6067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Li6SBr2N]
_chemical_formula_sum '[Li12 S2 Br4 N2]'
_cell_volume [341.9499]
_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  4  0.0000  0.2330  0.2121  1
  Li  Li1  4  0.2383  0.0000  0.9973  1
  Li  Li2  4  0.2447  0.0000  0.4453  1
  S  S3  2  0.0000  0.5000  0.2807  1
  Br  Br4  4  0.0000  0.2794  0.7878  1
  N  N5  2  0.0000  0.0000  0.2301  1
]