# generated using pymatgen
data_LiNiBP2H6O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.48823924
_cell_length_b   9.48823924
_cell_length_c   15.87896100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999470
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNiBP2H6O11
_chemical_formula_sum   'Li6 Ni6 B6 P12 H36 O66'
_cell_volume   1238.00953676
_cell_formula_units_Z   6
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  0.22869000  0.45738000  0.25000000  1
  Li  Li1  1  0.54262000  0.77131000  0.58333300  1
  Li  Li2  1  0.77131000  0.54262000  0.75000000  1
  Li  Li3  1  0.45738000  0.22869000  0.08333300  1
  Li  Li4  1  0.22869000  0.77131000  0.91666700  1
  Li  Li5  1  0.77131000  0.22869000  0.41666700  1
  Ni  Ni6  1  0.54980700  0.09961400  0.25000000  1
  Ni  Ni7  1  0.90038600  0.45019300  0.58333300  1
  Ni  Ni8  1  0.45019300  0.90038600  0.75000000  1
  Ni  Ni9  1  0.09961400  0.54980700  0.08333300  1
  Ni  Ni10  1  0.54980700  0.45019300  0.91666700  1
  Ni  Ni11  1  0.45019300  0.54980700  0.41666700  1
  B  B12  1  0.84680800  0.69361700  0.25000000  1
  B  B13  1  0.30638300  0.15319200  0.58333300  1
  B  B14  1  0.15319200  0.30638300  0.75000000  1
  B  B15  1  0.69361700  0.84680800  0.08333300  1
  B  B16  1  0.84680800  0.15319200  0.91666700  1
  B  B17  1  0.15319200  0.84680800  0.41666700  1
  P  P18  1  0.39179100  0.16803900  0.41372400  1
  P  P19  1  0.83196100  0.22375300  0.74705700  1
  P  P20  1  0.60820900  0.83196100  0.91372400  1
  P  P21  1  0.16803900  0.39179100  0.91960900  1
  P  P22  1  0.77624700  0.60820900  0.08039100  1
  P  P23  1  0.16803900  0.77624700  0.24705700  1
  P  P24  1  0.22375300  0.83196100  0.58627600  1
  P  P25  1  0.83196100  0.60820900  0.41960900  1
  P  P26  1  0.22375300  0.39179100  0.58039100  1
  P  P27  1  0.77624700  0.16803900  0.08627600  1
  P  P28  1  0.60820900  0.77624700  0.25294300  1
  P  P29  1  0.39179100  0.22375300  0.75294300  1
  H  H30  1  0.30346900  0.43857400  0.06879100  1
  H  H31  1  0.56142600  0.86489500  0.40212400  1
  H  H32  1  0.69653100  0.56142600  0.56879100  1
  H  H33  1  0.43857400  0.30346900  0.26454200  1
  H  H34  1  0.13510500  0.69653100  0.73545800  1
  H  H35  1  0.43857400  0.13510500  0.90212400  1
  H  H36  1  0.86489500  0.56142600  0.93120900  1
  H  H37  1  0.56142600  0.69653100  0.76454200  1
  H  H38  1  0.86489500  0.30346900  0.23545800  1
  H  H39  1  0.13510500  0.43857400  0.43120900  1
  H  H40  1  0.69653100  0.13510500  0.59787600  1
  H  H41  1  0.30346900  0.86489500  0.09787600  1
  H  H42  1  0.14955100  0.11778000  0.04113900  1
  H  H43  1  0.88222000  0.03177100  0.37447200  1
  H  H44  1  0.85044900  0.88222000  0.54113900  1
  H  H45  1  0.11778000  0.14955100  0.29219500  1
  H  H46  1  0.96822900  0.85044900  0.70780500  1
  H  H47  1  0.11778000  0.96822900  0.87447200  1
  H  H48  1  0.03177100  0.88222000  0.95886100  1
  H  H49  1  0.88222000  0.85044900  0.79219500  1
  H  H50  1  0.03177100  0.14955100  0.20780500  1
  H  H51  1  0.96822900  0.11778000  0.45886100  1
  H  H52  1  0.85044900  0.96822900  0.62552800  1
  H  H53  1  0.14955100  0.03177100  0.12552800  1
  H  H54  1  0.39097300  0.59476600  0.12484100  1
  H  H55  1  0.40523400  0.79620700  0.45817500  1
  H  H56  1  0.60902700  0.40523400  0.62484100  1
  H  H57  1  0.59476600  0.39097300  0.20849200  1
  H  H58  1  0.20379300  0.60902700  0.79150800  1
  H  H59  1  0.59476600  0.20379300  0.95817500  1
  H  H60  1  0.79620700  0.40523400  0.87515900  1
  H  H61  1  0.40523400  0.60902700  0.70849200  1
  H  H62  1  0.79620700  0.39097300  0.29150800  1
  H  H63  1  0.20379300  0.59476600  0.37515900  1
  H  H64  1  0.60902700  0.20379300  0.54182500  1
  H  H65  1  0.39097300  0.79620700  0.04182500  1
  O  O66  1  0.42006000  0.18210700  0.51258500  1
  O  O67  1  0.81789300  0.23795300  0.84591800  1
  O  O68  1  0.57994000  0.81789300  0.01258500  1
  O  O69  1  0.18210700  0.42006000  0.82074900  1
  O  O70  1  0.76204700  0.57994000  0.17925100  1
  O  O71  1  0.18210700  0.76204700  0.34591800  1
  O  O72  1  0.23795300  0.81789300  0.48741500  1
  O  O73  1  0.81789300  0.57994000  0.32074900  1
  O  O74  1  0.23795300  0.42006000  0.67925100  1
  O  O75  1  0.76204700  0.18210700  0.98741500  1
  O  O76  1  0.57994000  0.76204700  0.15408200  1
  O  O77  1  0.42006000  0.23795300  0.65408200  1
  O  O78  1  0.28440800  0.49438500  0.11670600  1
  O  O79  1  0.50561500  0.79002300  0.45003900  1
  O  O80  1  0.71559200  0.50561500  0.61670600  1
  O  O81  1  0.49438500  0.28440800  0.21662700  1
  O  O82  1  0.20997700  0.71559200  0.78337300  1
  O  O83  1  0.49438500  0.20997700  0.95003900  1
  O  O84  1  0.79002300  0.50561500  0.88329400  1
  O  O85  1  0.50561500  0.71559200  0.71662700  1
  O  O86  1  0.79002300  0.28440800  0.28337300  1
  O  O87  1  0.20997700  0.49438500  0.38329400  1
  O  O88  1  0.71559200  0.20997700  0.54996100  1
  O  O89  1  0.28440800  0.79002300  0.04996100  1
  O  O90  1  0.21585000  0.01971800  0.39788300  1
  O  O91  1  0.98028200  0.19613200  0.73121700  1
  O  O92  1  0.78415000  0.98028200  0.89788300  1
  O  O93  1  0.01971800  0.21585000  0.93545000  1
  O  O94  1  0.80386800  0.78415000  0.06455000  1
  O  O95  1  0.01971800  0.80386800  0.23121700  1
  O  O96  1  0.19613200  0.98028200  0.60211700  1
  O  O97  1  0.98028200  0.78415000  0.43545000  1
  O  O98  1  0.19613200  0.21585000  0.56455000  1
  O  O99  1  0.80386800  0.01971800  0.10211700  1
  O  O100  1  0.78415000  0.80386800  0.26878300  1
  O  O101  1  0.21585000  0.19613200  0.76878300  1
  O  O102  1  0.61219100  0.13426200  0.12156400  1
  O  O103  1  0.86573800  0.47792900  0.45489700  1
  O  O104  1  0.38780900  0.86573800  0.62156400  1
  O  O105  1  0.13426200  0.61219100  0.21177000  1
  O  O106  1  0.52207100  0.38780900  0.78823000  1
  O  O107  1  0.13426200  0.52207100  0.95489700  1
  O  O108  1  0.47792900  0.86573800  0.87843600  1
  O  O109  1  0.86573800  0.38780900  0.71177000  1
  O  O110  1  0.47792900  0.61219100  0.28823000  1
  O  O111  1  0.52207100  0.13426200  0.37843600  1
  O  O112  1  0.38780900  0.52207100  0.54510300  1
  O  O113  1  0.61219100  0.47792900  0.04510300  1
  O  O114  1  0.39146100  0.31653400  0.37768700  1
  O  O115  1  0.68346600  0.07492700  0.71102000  1
  O  O116  1  0.60853900  0.68346600  0.87768700  1
  O  O117  1  0.31653400  0.39146100  0.95564700  1
  O  O118  1  0.92507300  0.60853900  0.04435300  1
  O  O119  1  0.31653400  0.92507300  0.21102000  1
  O  O120  1  0.07492700  0.68346600  0.62231300  1
  O  O121  1  0.68346600  0.60853900  0.45564700  1
  O  O122  1  0.07492700  0.39146100  0.54435300  1
  O  O123  1  0.92507300  0.31653400  0.12231300  1
  O  O124  1  0.60853900  0.92507300  0.28898000  1
  O  O125  1  0.39146100  0.07492700  0.78898000  1
  O  O126  1  0.10970900  0.21941800  0.25000000  1
  O  O127  1  0.78058200  0.89029100  0.58333300  1
  O  O128  1  0.89029100  0.78058200  0.75000000  1
  O  O129  1  0.21941800  0.10970900  0.08333300  1
  O  O130  1  0.10970900  0.89029100  0.91666700  1
  O  O131  1  0.89029100  0.10970900  0.41666700  1
