# generated using pymatgen
data_LiNiBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26784008
_cell_length_b   8.66393155
_cell_length_c   8.07419510
_cell_angle_alpha   117.84310748
_cell_angle_beta   90.01369997
_cell_angle_gamma   68.77671206
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNiBO3
_chemical_formula_sum   'Li6 Ni6 B6 O18'
_cell_volume   353.74326773
_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  0.81510500  0.36976800  0.32743900  1
  Li  Li1  1  0.31512100  0.36974600  0.32742700  1
  Li  Li2  1  0.66411100  0.67183200  0.04185700  1
  Li  Li3  1  0.16409100  0.67186700  0.04187000  1
  Li  Li4  1  0.52098200  0.95813100  0.63006000  1
  Li  Li5  1  0.02092900  0.95814800  0.63006500  1
  Ni  Ni6  1  0.60433300  0.29155300  0.95153400  1
  Ni  Ni7  1  0.22592900  0.04812800  0.34005800  1
  Ni  Ni8  1  0.91991200  0.66018900  0.70801400  1
  Ni  Ni9  1  0.10442500  0.29154600  0.95152000  1
  Ni  Ni10  1  0.72589800  0.04824900  0.33977300  1
  Ni  Ni11  1  0.41957700  0.66046100  0.70799400  1
  B  B12  1  0.08325500  0.33357400  0.66713600  1
  B  B13  1  0.58319800  0.33366600  0.66708700  1
  B  B14  1  0.00006700  0.99981400  0.99982300  1
  B  B15  1  0.50009700  0.99974400  0.99981000  1
  B  B16  1  0.91656500  0.66684900  0.33337200  1
  B  B17  1  0.41658000  0.66676400  0.33330800  1
  O  O18  1  0.94060900  0.11883300  0.92236200  1
  O  O19  1  0.44064900  0.11874000  0.92235300  1
  O  O20  1  0.96137900  0.07737100  0.19651300  1
  O  O21  1  0.46124900  0.07732100  0.19650300  1
  O  O22  1  0.59850200  0.80294500  0.88055100  1
  O  O23  1  0.09832700  0.80302000  0.88059300  1
  O  O24  1  0.17685200  0.14622700  0.62825700  1
  O  O25  1  0.67677300  0.14631400  0.62812500  1
  O  O26  1  0.00920800  0.48191700  0.85455100  1
  O  O27  1  0.50914800  0.48196800  0.85453400  1
  O  O28  1  0.06394900  0.37202600  0.51859600  1
  O  O29  1  0.56385000  0.37223600  0.51860800  1
  O  O30  1  0.01614900  0.46767100  0.23017300  1
  O  O31  1  0.51615300  0.46758500  0.23008700  1
  O  O32  1  0.86850500  0.76301000  0.53256900  1
  O  O33  1  0.36850500  0.76297000  0.53249200  1
  O  O34  1  0.86499600  0.76994700  0.23751800  1
  O  O35  1  0.36502100  0.76986900  0.23746600  1
