# generated using pymatgen
data_LiNi3B2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79983035
_cell_length_b   4.79983043
_cell_length_c   8.56305954
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999268
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNi3B2
_chemical_formula_sum   'Li3 Ni9 B6'
_cell_volume   170.84859413
_cell_formula_units_Z   3
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  0.00000000  0.00000000  0.66666700  1.0
  Li  Li1  1  0.00000000  0.00000000  0.00000000  1.0
  Li  Li2  1  0.00000000  0.00000000  0.33333300  1.0
  Ni  Ni3  1  0.50000000  0.00000000  0.79007562  1.0
  Ni  Ni4  1  0.50000000  0.50000000  0.87659138  1.0
  Ni  Ni5  1  0.50000000  0.50000000  0.45674262  1.0
  Ni  Ni6  1  0.00000000  0.50000000  0.83333300  1.0
  Ni  Ni7  1  0.00000000  0.50000000  0.12340862  1.0
  Ni  Ni8  1  0.50000000  0.50000000  0.16666700  1.0
  Ni  Ni9  1  0.50000000  0.00000000  0.20992438  1.0
  Ni  Ni10  1  0.00000000  0.50000000  0.54325738  1.0
  Ni  Ni11  1  0.50000000  0.00000000  0.50000000  1.0
  B  B12  1  0.61036958  0.22073815  0.00000000  1.0
  B  B13  1  0.77926185  0.38963042  0.33333300  1.0
  B  B14  1  0.22073815  0.61036958  0.33333300  1.0
  B  B15  1  0.61036958  0.38963042  0.66666700  1.0
  B  B16  1  0.38963042  0.61036958  0.66666700  1.0
  B  B17  1  0.38963042  0.77926185  0.00000000  1.0