# generated using pymatgen
data_Li2H2BrN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.79716000
_cell_length_b   7.93726500
_cell_length_c   12.66459100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2H2BrN
_chemical_formula_sum   'Li16 H16 Br8 N8'
_cell_volume   783.78779300
_cell_formula_units_Z   8
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  0.25000000  0.18659100  0.87435300  1
  Li  Li1  1  0.25000000  0.31340900  0.37435300  1
  Li  Li2  1  0.75000000  0.81340900  0.12564700  1
  Li  Li3  1  0.75000000  0.68659100  0.62564700  1
  Li  Li4  1  0.25000000  0.65992100  0.57158400  1
  Li  Li5  1  0.25000000  0.84007900  0.07158400  1
  Li  Li6  1  0.75000000  0.34007900  0.42841600  1
  Li  Li7  1  0.75000000  0.15992100  0.92841600  1
  Li  Li8  1  0.01087100  0.19138800  0.54607000  1
  Li  Li9  1  0.48912900  0.30861200  0.04607000  1
  Li  Li10  1  0.51087100  0.80861200  0.45393000  1
  Li  Li11  1  0.98912900  0.69138800  0.95393000  1
  Li  Li12  1  0.98912900  0.80861200  0.45393000  1
  Li  Li13  1  0.51087100  0.69138800  0.95393000  1
  Li  Li14  1  0.48912900  0.19138800  0.54607000  1
  Li  Li15  1  0.01087100  0.30861200  0.04607000  1
  H  H16  1  0.99458300  0.37075100  0.66002200  1
  H  H17  1  0.50541700  0.12924900  0.16002200  1
  H  H18  1  0.49458300  0.62924900  0.33997800  1
  H  H19  1  0.00541700  0.87075100  0.83997800  1
  H  H20  1  0.00541700  0.62924900  0.33997800  1
  H  H21  1  0.49458300  0.87075100  0.83997800  1
  H  H22  1  0.50541700  0.37075100  0.66002200  1
  H  H23  1  0.99458300  0.12924900  0.16002200  1
  H  H24  1  0.99103200  0.22749200  0.91337100  1
  H  H25  1  0.50896800  0.27250800  0.41337100  1
  H  H26  1  0.49103200  0.77250800  0.08662900  1
  H  H27  1  0.00896800  0.72749200  0.58662900  1
  H  H28  1  0.00896800  0.77250800  0.08662900  1
  H  H29  1  0.49103200  0.72749200  0.58662900  1
  H  H30  1  0.50896800  0.22749200  0.91337100  1
  H  H31  1  0.99103200  0.27250800  0.41337100  1
  Br  Br32  1  0.25000000  0.86056500  0.84778900  1
  Br  Br33  1  0.25000000  0.63943500  0.34778900  1
  Br  Br34  1  0.75000000  0.13943500  0.15221100  1
  Br  Br35  1  0.75000000  0.36056500  0.65221100  1
  Br  Br36  1  0.25000000  0.36384200  0.65980600  1
  Br  Br37  1  0.25000000  0.13615800  0.15980600  1
  Br  Br38  1  0.75000000  0.63615800  0.34019400  1
  Br  Br39  1  0.75000000  0.86384200  0.84019400  1
  N  N40  1  0.17588600  0.99651600  0.48480600  1
  N  N41  1  0.32411400  0.50348400  0.98480600  1
  N  N42  1  0.67588600  0.00348400  0.51519400  1
  N  N43  1  0.82411400  0.49651600  0.01519400  1
  N  N44  1  0.82411400  0.00348400  0.51519400  1
  N  N45  1  0.67588600  0.49651600  0.01519400  1
  N  N46  1  0.32411400  0.99651600  0.48480600  1
  N  N47  1  0.17588600  0.50348400  0.98480600  1
