# generated using pymatgen
data_LiNiBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12392700
_cell_length_b   8.07594180
_cell_length_c   8.07613269
_cell_angle_alpha   60.00406951
_cell_angle_beta   89.99694643
_cell_angle_gamma   89.99750858
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNiBO3
_chemical_formula_sum   'Li6 Ni6 B6 O18'
_cell_volume   345.91952011
_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  0.25012100  0.27452200  0.70085500  1
  Li  Li1  1  0.74992800  0.27446700  0.70085300  1
  Li  Li2  1  0.25005200  0.02479900  0.27447400  1
  Li  Li3  1  0.75001800  0.02476600  0.27451400  1
  Li  Li4  1  0.25019200  0.70064400  0.02490800  1
  Li  Li5  1  0.74989800  0.70070900  0.02487200  1
  Ni  Ni6  1  0.99986600  0.63488800  0.38064900  1
  Ni  Ni7  1  0.50005100  0.63508700  0.38093400  1
  Ni  Ni8  1  0.49983400  0.98433200  0.63486100  1
  Ni  Ni9  1  0.99990300  0.38073000  0.98456700  1
  Ni  Ni10  1  0.49996800  0.38057300  0.98436200  1
  Ni  Ni11  1  0.00007500  0.98458000  0.63466200  1
  B  B12  1  0.25057400  0.33336400  0.33327700  1
  B  B13  1  0.74942100  0.33334800  0.33330000  1
  B  B14  1  0.00001500  0.99999500  0.00003000  1
  B  B15  1  0.50002300  0.99996200  0.00004900  1
  B  B16  1  0.24994200  0.66665600  0.66672400  1
  B  B17  1  0.75005600  0.66668600  0.66670900  1
  O  O18  1  0.00002000  0.10139100  0.80145300  1
  O  O19  1  0.50000500  0.10140600  0.80149400  1
  O  O20  1  0.00000300  0.09713300  0.10143100  1
  O  O21  1  0.50002900  0.09707400  0.10144000  1
  O  O22  1  0.00001000  0.80143000  0.09720100  1
  O  O23  1  0.50001600  0.80145900  0.09717200  1
  O  O24  1  0.25015800  0.13634000  0.44881600  1
  O  O25  1  0.74980500  0.13629900  0.44885300  1
  O  O26  1  0.25086000  0.44933700  0.41433400  1
  O  O27  1  0.74911900  0.44931600  0.41433900  1
  O  O28  1  0.25087600  0.41434300  0.13629400  1
  O  O29  1  0.74915700  0.41436000  0.13631500  1
  O  O30  1  0.24995700  0.46821900  0.78045200  1
  O  O31  1  0.75006600  0.46823200  0.78041900  1
  O  O32  1  0.24997800  0.78039600  0.75139900  1
  O  O33  1  0.75001800  0.78041900  0.75139700  1
  O  O34  1  0.24994100  0.75136900  0.46829100  1
  O  O35  1  0.75004500  0.75136800  0.46830900  1
