# generated using pymatgen
data_Ni2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07120508
_cell_length_b   4.07120577
_cell_length_c   4.07120564
_cell_angle_alpha   105.52883311
_cell_angle_beta   105.52880968
_cell_angle_gamma   117.68133691
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2B
_chemical_formula_sum   'Ni4 B2'
_cell_volume   51.13490025
_cell_formula_units_Z   2
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
  Ni  Ni0  1  0.91886749  0.58113251  -0.00000000  1.0
  Ni  Ni1  1  0.08113251  0.08113251  0.66226302  1.0
  Ni  Ni2  1  0.58113251  0.91886749  0.00000000  1.0
  Ni  Ni3  1  0.41886749  0.41886749  0.33773698  1.0
  B  B4  1  0.50000000  -0.00000000  0.50000000  1.0
  B  B5  1  0.00000000  0.50000000  0.50000000  1.0