# generated using pymatgen
data_LiH20C8BrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.83973883
_cell_length_b   7.83973883
_cell_length_c   12.38296066
_cell_angle_alpha   84.51036391
_cell_angle_beta   84.51036391
_cell_angle_gamma   62.43143725
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiH20C8BrO4
_chemical_formula_sum   'Li2 H40 C16 Br2 O8'
_cell_volume   670.42686982
_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  1  0.06135200  0.93864800  0.75000000  1
  Li  Li1  1  0.93864800  0.06135200  0.25000000  1
  H  H2  1  0.15243700  0.70241700  0.47509900  1
  H  H3  1  0.29758300  0.84756300  0.02490100  1
  H  H4  1  0.84756300  0.29758300  0.52490100  1
  H  H5  1  0.70241700  0.15243700  0.97509900  1
  H  H6  1  0.24776200  0.55004000  0.59484400  1
  H  H7  1  0.44996000  0.75223800  0.90515600  1
  H  H8  1  0.75223800  0.44996000  0.40515600  1
  H  H9  1  0.55004000  0.24776200  0.09484400  1
  H  H10  1  0.43775900  0.88470500  0.59736400  1
  H  H11  1  0.11529500  0.56224100  0.90263600  1
  H  H12  1  0.56224100  0.11529500  0.40263600  1
  H  H13  1  0.88470500  0.43775900  0.09736400  1
  H  H14  1  0.49588800  0.63420300  0.60806300  1
  H  H15  1  0.36579700  0.50411200  0.89193700  1
  H  H16  1  0.50411200  0.36579700  0.39193700  1
  H  H17  1  0.63420300  0.49588800  0.10806300  1
  H  H18  1  0.42620300  0.77121300  0.48007800  1
  H  H19  1  0.22878700  0.57379700  0.01992200  1
  H  H20  1  0.57379700  0.22878700  0.51992200  1
  H  H21  1  0.77121300  0.42620300  0.98007800  1
  H  H22  1  0.90118100  0.64206400  0.58946400  1
  H  H23  1  0.35793600  0.09881900  0.91053600  1
  H  H24  1  0.09881900  0.35793600  0.41053600  1
  H  H25  1  0.64206400  0.90118100  0.08946400  1
  H  H26  1  0.84116900  0.89349400  0.57772800  1
  H  H27  1  0.10650600  0.15883100  0.92227200  1
  H  H28  1  0.15883100  0.10650600  0.42227200  1
  H  H29  1  0.89349400  0.84116900  0.07772800  1
  H  H30  1  0.77233800  0.78042600  0.86679300  1
  H  H31  1  0.21957400  0.22766200  0.63320700  1
  H  H32  1  0.22766200  0.21957400  0.13320700  1
  H  H33  1  0.78042600  0.77233800  0.36679300  1
  H  H34  1  0.64505100  0.91743000  0.75096300  1
  H  H35  1  0.08257000  0.35494900  0.74903700  1
  H  H36  1  0.35494900  0.08257000  0.24903700  1
  H  H37  1  0.91743000  0.64505100  0.25096300  1
  H  H38  1  0.73281500  0.65831700  0.76327100  1
  H  H39  1  0.34168300  0.26718500  0.73672900  1
  H  H40  1  0.26718500  0.34168300  0.23672900  1
  H  H41  1  0.65831700  0.73281500  0.26327100  1
  C  C42  1  0.14657300  0.69714600  0.56494300  1
  C  C43  1  0.30285400  0.85342700  0.93505700  1
  C  C44  1  0.85342700  0.30285400  0.43505700  1
  C  C45  1  0.69714600  0.14657300  0.06494300  1
  C  C46  1  0.40307200  0.77636300  0.56914800  1
  C  C47  1  0.22363700  0.59692800  0.93085200  1
  C  C48  1  0.59692800  0.22363700  0.43085200  1
  C  C49  1  0.77636300  0.40307200  0.06914800  1
  C  C50  1  0.94445700  0.74989000  0.61088400  1
  C  C51  1  0.25011000  0.05554300  0.88911600  1
  C  C52  1  0.05554300  0.25011000  0.38911600  1
  C  C53  1  0.74989000  0.94445700  0.11088400  1
  C  C54  1  0.76164600  0.77840100  0.77906200  1
  C  C55  1  0.22159900  0.23835400  0.72093800  1
  C  C56  1  0.23835400  0.22159900  0.22093800  1
  C  C57  1  0.77840100  0.76164600  0.27906200  1
  Br  Br58  1  0.73922500  0.26077500  0.75000000  1
  Br  Br59  1  0.26077500  0.73922500  0.25000000  1
  O  O60  1  0.20374100  0.83199500  0.60039200  1
  O  O61  1  0.16800500  0.79625900  0.89960800  1
  O  O62  1  0.79625900  0.16800500  0.39960800  1
  O  O63  1  0.83199500  0.20374100  0.10039200  1
  O  O64  1  0.94326500  0.75112900  0.72684100  1
  O  O65  1  0.24887100  0.05673500  0.77315900  1
  O  O66  1  0.05673500  0.24887100  0.27315900  1
  O  O67  1  0.75112900  0.94326500  0.22684100  1
