# generated using pymatgen
data_LiNiBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15158872
_cell_length_b   8.84650545
_cell_length_c   5.97759250
_cell_angle_alpha   75.80792475
_cell_angle_beta   64.07152858
_cell_angle_gamma   93.89873049
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNiBO3
_chemical_formula_sum   'Li4 Ni4 B4 O12'
_cell_volume   232.67656532
_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  0.49398400  0.88362900  0.68313900  1
  Li  Li1  1  0.99381900  0.38369600  0.68380800  1
  Li  Li2  1  0.50617700  0.11630100  0.31619400  1
  Li  Li3  1  0.00601100  0.61637000  0.31686900  1
  Ni  Ni4  1  0.44687300  0.21035300  0.75018500  1
  Ni  Ni5  1  0.05315600  0.28964500  0.24977500  1
  Ni  Ni6  1  0.94717900  0.71015600  0.75066800  1
  Ni  Ni7  1  0.55279600  0.78983300  0.24934200  1
  B  B8  1  0.94134400  0.03316300  0.74498600  1
  B  B9  1  0.44137100  0.53315800  0.74521600  1
  B  B10  1  0.05862900  0.96684400  0.25478800  1
  B  B11  1  0.55865400  0.46683800  0.25501500  1
  O  O12  1  0.35891200  0.67476400  0.66304800  1
  O  O13  1  0.85866200  0.17479200  0.66316700  1
  O  O14  1  0.64135000  0.32520900  0.33682600  1
  O  O15  1  0.14108300  0.82523700  0.33696700  1
  O  O16  1  0.73692900  0.88999700  0.84734300  1
  O  O17  1  0.23703000  0.39004600  0.84771100  1
  O  O18  1  0.26298100  0.10995500  0.15227900  1
  O  O19  1  0.76306800  0.61000900  0.15265700  1
  O  O20  1  0.22530700  0.03060900  0.70711100  1
  O  O21  1  0.72522700  0.53058300  0.70762000  1
  O  O22  1  0.77477000  0.96942100  0.29239000  1
  O  O23  1  0.27468300  0.46938800  0.29289700  1
