# generated using pymatgen
data_LiH6C3BrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.53895100
_cell_length_b   4.52032300
_cell_length_c   9.51078770
_cell_angle_alpha   79.03070725
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiH6C3BrN2
_chemical_formula_sum   'Li4 H24 C12 Br4 N8'
_cell_volume   740.25495962
_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  0.43737700  0.73118200  0.05891800  1
  Li  Li1  1  0.93737700  0.26881800  0.44108200  1
  Li  Li2  1  0.56262300  0.26881800  0.94108200  1
  Li  Li3  1  0.06262300  0.73118200  0.55891800  1
  H  H4  1  0.15194300  0.76707200  0.89598600  1
  H  H5  1  0.65194300  0.23292800  0.60401400  1
  H  H6  1  0.84805700  0.23292800  0.10401400  1
  H  H7  1  0.34805700  0.76707200  0.39598600  1
  H  H8  1  0.08451700  0.69843100  0.03967200  1
  H  H9  1  0.58451700  0.30156900  0.46032800  1
  H  H10  1  0.91548300  0.30156900  0.96032800  1
  H  H11  1  0.41548300  0.69843100  0.53967200  1
  H  H12  1  0.10657200  0.40921000  0.94084500  1
  H  H13  1  0.60657200  0.59079000  0.55915500  1
  H  H14  1  0.89342800  0.59079000  0.05915500  1
  H  H15  1  0.39342800  0.40921000  0.44084500  1
  H  H16  1  0.22496500  0.20092500  0.27629200  1
  H  H17  1  0.72496500  0.79907500  0.22370800  1
  H  H18  1  0.77503500  0.79907500  0.72370800  1
  H  H19  1  0.27503500  0.20092500  0.77629200  1
  H  H20  1  0.13955500  0.09446900  0.19611300  1
  H  H21  1  0.63955500  0.90553100  0.30388700  1
  H  H22  1  0.86044500  0.90553100  0.80388700  1
  H  H23  1  0.36044500  0.09446900  0.69611300  1
  H  H24  1  0.13772600  0.40128200  0.28936500  1
  H  H25  1  0.63772600  0.59871800  0.21063500  1
  H  H26  1  0.86227400  0.59871800  0.71063500  1
  H  H27  1  0.36227400  0.40128200  0.78936500  1
  C  C28  1  0.13019300  0.59786200  0.98483300  1
  C  C29  1  0.63019300  0.40213800  0.51516700  1
  C  C30  1  0.86980700  0.40213800  0.01516700  1
  C  C31  1  0.36980700  0.59786200  0.48483300  1
  C  C32  1  0.17248100  0.28523400  0.22025200  1
  C  C33  1  0.67248100  0.71476600  0.27974800  1
  C  C34  1  0.82751900  0.71476600  0.77974800  1
  C  C35  1  0.32751900  0.28523400  0.72025200  1
  C  C36  1  0.26062800  0.60461600  0.06805000  1
  C  C37  1  0.76062800  0.39538400  0.43195000  1
  C  C38  1  0.73937200  0.39538400  0.93195000  1
  C  C39  1  0.23937200  0.60461600  0.56805000  1
  Br  Br40  1  0.48387000  0.18211000  0.17096400  1
  Br  Br41  1  0.98387000  0.81789000  0.32903600  1
  Br  Br42  1  0.51613000  0.81789000  0.82903600  1
  Br  Br43  1  0.01613000  0.18211000  0.67096400  1
  N  N44  1  0.32298100  0.70094200  0.05380800  1
  N  N45  1  0.82298100  0.29905800  0.44619200  1
  N  N46  1  0.67701900  0.29905800  0.94619200  1
  N  N47  1  0.17701900  0.70094200  0.55380800  1
  N  N48  1  0.19186300  0.49051800  0.08601800  1
  N  N49  1  0.69186300  0.50948200  0.41398200  1
  N  N50  1  0.80813700  0.50948200  0.91398200  1
  N  N51  1  0.30813700  0.49051800  0.58601800  1
