data_[Li10Br1N3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Br  2.9600  1.1500  0.8825
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [7.3619]
_cell_length_b [7.3619]
_cell_length_c [3.8510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Li10BrN3]
_chemical_formula_sum '[Li10 Br1 N3]'
_cell_volume [180.7496]
_cell_formula_units_Z [1]
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  3  0.0156  0.5078  0.5000  1
  Li  Li1  3  0.1675  0.3349  0.0000  1
  Li  Li2  3  0.4418  0.2209  0.0000  1
  Li  Li3  1  0.3333  0.6667  0.0000  1
  Br  Br4  1  0.0000  0.0000  0.5000  1
  N  N5  3  0.0172  0.5086  0.0000  1
]