# generated using pymatgen
data_Li2NiBO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15763300
_cell_length_b   7.13801100
_cell_length_c   6.90243700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00013984
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NiBO4
_chemical_formula_sum   'Li8 Ni4 B4 O16'
_cell_volume   303.38455348
_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  0.49997100  0.49999400  0.17945600  1
  Li  Li1  1  0.50002800  0.00000700  0.67945600  1
  Li  Li2  1  0.00002900  0.49999400  0.82054400  1
  Li  Li3  1  0.99997200  0.00000700  0.32054400  1
  Li  Li4  1  0.75000000  0.19234400  0.99999900  1
  Li  Li5  1  0.75000000  0.69239100  0.49999900  1
  Li  Li6  1  0.25000000  0.80760800  0.00000100  1
  Li  Li7  1  0.25000000  0.30765600  0.50000100  1
  Ni  Ni8  1  0.25000000  0.68877000  0.50000000  1
  Ni  Ni9  1  0.75000000  0.81123100  0.00000000  1
  Ni  Ni10  1  0.25000000  0.18873600  0.00000000  1
  Ni  Ni11  1  0.75000000  0.31126600  0.50000000  1
  B  B12  1  0.00000800  0.50000100  0.18490900  1
  B  B13  1  0.99999100  0.99999700  0.68490700  1
  B  B14  1  0.49999200  0.50000100  0.81509100  1
  B  B15  1  0.50000900  0.99999700  0.31509300  1
  O  O16  1  0.20077900  0.50866100  0.30285000  1
  O  O17  1  0.20080300  0.00864600  0.80283500  1
  O  O18  1  0.79919300  0.49135400  0.30283500  1
  O  O19  1  0.79921800  0.99134100  0.80285300  1
  O  O20  1  0.70080800  0.49135400  0.69716400  1
  O  O21  1  0.70078200  0.99134000  0.19714700  1
  O  O22  1  0.29922100  0.50866100  0.69715000  1
  O  O23  1  0.29919700  0.00864600  0.19716600  1
  O  O24  1  0.00999300  0.33197100  0.05256400  1
  O  O25  1  0.00997800  0.83199400  0.55251800  1
  O  O26  1  0.99002400  0.66800400  0.05251900  1
  O  O27  1  0.99001100  0.16803100  0.55256300  1
  O  O28  1  0.49000700  0.33197100  0.94743600  1
  O  O29  1  0.49002200  0.83199500  0.44748200  1
  O  O30  1  0.50997500  0.66800300  0.94748100  1
  O  O31  1  0.50998900  0.16803100  0.44743700  1
