# generated using pymatgen
data_Li3Ni(BO2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.88949900
_cell_length_b   7.07119615
_cell_length_c   9.29176862
_cell_angle_alpha   79.99740103
_cell_angle_beta   68.64427175
_cell_angle_gamma   61.59285250
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Ni(BO2)5
_chemical_formula_sum   'Li6 Ni2 B10 O20'
_cell_volume   370.82228789
_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  0.24406900  0.49203000  0.24664100  1
  Li  Li1  1  0.82120400  0.99275400  0.15878300  1
  Li  Li2  1  0.02001400  0.19300800  0.46408000  1
  Li  Li3  1  0.97998600  0.80699200  0.53592000  1
  Li  Li4  1  0.17879600  0.00724600  0.84121700  1
  Li  Li5  1  0.75593100  0.50797000  0.75335900  1
  Ni  Ni6  1  0.21913500  0.51391800  0.88225100  1
  Ni  Ni7  1  0.78086500  0.48608200  0.11774900  1
  B  B8  1  0.30519800  0.80238700  0.07011300  1
  B  B9  1  0.41162100  0.85716700  0.28858100  1
  B  B10  1  0.36209200  0.74684400  0.56899500  1
  B  B11  1  0.21362800  0.16814300  0.13033900  1
  B  B12  1  0.74643200  0.71398600  0.39725500  1
  B  B13  1  0.25356800  0.28601400  0.60274500  1
  B  B14  1  0.78637200  0.83185700  0.86966100  1
  B  B15  1  0.63790800  0.25315600  0.43100500  1
  B  B16  1  0.58837900  0.14283300  0.71141900  1
  B  B17  1  0.69480200  0.19761300  0.92988700  1
  O  O18  1  0.26815100  0.69431600  0.99102500  1
  O  O19  1  0.27154700  0.84027300  0.44760700  1
  O  O20  1  0.41256100  0.71734400  0.18407700  1
  O  O21  1  0.21513900  0.73300200  0.70630500  1
  O  O22  1  0.12868500  0.37937300  0.09717500  1
  O  O23  1  0.65947800  0.77795700  0.27142400  1
  O  O24  1  0.04510700  0.30498500  0.62252000  1
  O  O25  1  0.69274100  0.91319900  0.75124000  1
  O  O26  1  0.59957000  0.68121000  0.54168100  1
  O  O27  1  0.77966500  0.97482400  0.95979400  1
  O  O28  1  0.22033500  0.02517600  0.04020600  1
  O  O29  1  0.40043000  0.31879000  0.45831900  1
  O  O30  1  0.30725900  0.08680100  0.24876000  1
  O  O31  1  0.95489300  0.69501500  0.37748000  1
  O  O32  1  0.34052200  0.22204300  0.72857600  1
  O  O33  1  0.87131500  0.62062700  0.90282500  1
  O  O34  1  0.78486100  0.26699800  0.29369500  1
  O  O35  1  0.58743900  0.28265600  0.81592300  1
  O  O36  1  0.72845300  0.15972700  0.55239300  1
  O  O37  1  0.73184900  0.30568400  0.00897500  1
