# generated using pymatgen
data_LiNiBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11260336
_cell_length_b   5.11260336
_cell_length_c   10.00421521
_cell_angle_alpha   89.18812617
_cell_angle_beta   89.18812617
_cell_angle_gamma   117.70265401
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNiBO3
_chemical_formula_sum   'Li4 Ni4 B4 O12'
_cell_volume   231.43554019
_cell_formula_units_Z   4
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  0.64897000  0.66333200  0.83380400  1
  Li  Li1  1  0.66333200  0.64897000  0.33380400  1
  Li  Li2  1  0.34549900  0.33728100  0.58468800  1
  Li  Li3  1  0.33728100  0.34549900  0.08468800  1
  Ni  Ni4  1  0.97968300  0.32006500  0.36987500  1
  Ni  Ni5  1  0.67043000  0.01696500  0.11881400  1
  Ni  Ni6  1  0.32006500  0.97968300  0.86987500  1
  Ni  Ni7  1  0.01696500  0.67043000  0.61881400  1
  B  B8  1  0.99900600  0.33367700  0.87321200  1
  B  B9  1  0.66050700  0.00076300  0.62402700  1
  B  B10  1  0.33367700  0.99900600  0.37321200  1
  B  B11  1  0.00076300  0.66050700  0.12402700  1
  O  O12  1  0.02685400  0.40877700  0.16211200  1
  O  O13  1  0.91143600  0.25033100  0.57756000  1
  O  O14  1  0.74258300  0.07732100  0.91043500  1
  O  O15  1  0.58147600  0.97797700  0.32715700  1
  O  O16  1  0.73009800  0.65540600  0.13409200  1
  O  O17  1  0.65540600  0.73009800  0.63409200  1
  O  O18  1  0.34608900  0.27234400  0.38537400  1
  O  O19  1  0.27234400  0.34608900  0.88537400  1
  O  O20  1  0.40877700  0.02685400  0.66211200  1
  O  O21  1  0.25033100  0.91143600  0.07756000  1
  O  O22  1  0.07732100  0.74258300  0.41043500  1
  O  O23  1  0.97797700  0.58147600  0.82715700  1
