# generated using pymatgen
data_LiBrN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.93783800
_cell_length_b   6.64833800
_cell_length_c   8.22361906
_cell_angle_alpha   53.22406235
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBrN
_chemical_formula_sum   'Li4 Br4 N4'
_cell_volume   303.82496634
_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  1  0.68014000  0.52685300  0.11029900  1
  Li  Li1  1  0.81986000  0.52685300  0.61029900  1
  Li  Li2  1  0.31986000  0.47314700  0.88970100  1
  Li  Li3  1  0.18014000  0.47314700  0.38970100  1
  Br  Br4  1  0.65821500  0.30122300  0.94880300  1
  Br  Br5  1  0.84178500  0.30122300  0.44880300  1
  Br  Br6  1  0.34178500  0.69877700  0.05119700  1
  Br  Br7  1  0.15821500  0.69877700  0.55119700  1
  N  N8  1  0.85180800  0.85710800  0.86920000  1
  N  N9  1  0.64819200  0.85710800  0.36920000  1
  N  N10  1  0.14819200  0.14289200  0.13080000  1
  N  N11  1  0.35180800  0.14289200  0.63080000  1
