# generated using pymatgen
data_Ni3B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33863529
_cell_length_b   5.15006108
_cell_length_c   6.54817660
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3B
_chemical_formula_sum   'Ni12 B4'
_cell_volume   146.31400821
_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
  Ni  Ni0  1  0.65406288  0.81959228  0.93777876  1.0
  Ni  Ni1  1  0.15406288  0.68040772  0.06222124  1.0
  Ni  Ni2  1  0.84593712  0.31959228  0.56222124  1.0
  Ni  Ni3  1  0.34593712  0.18040772  0.43777876  1.0
  Ni  Ni4  1  0.86819239  0.02816324  0.25000000  1.0
  Ni  Ni5  1  0.36819239  0.47183676  0.75000000  1.0
  Ni  Ni6  1  0.63180761  0.52816324  0.25000000  1.0
  Ni  Ni7  1  0.13180761  0.97183676  0.75000000  1.0
  Ni  Ni8  1  0.65406288  0.81959228  0.56222124  1.0
  Ni  Ni9  1  0.15406288  0.68040772  0.43777876  1.0
  Ni  Ni10  1  0.84593712  0.31959228  0.93777876  1.0
  Ni  Ni11  1  0.34593712  0.18040772  0.06222124  1.0
  B  B12  1  0.56193240  0.11758642  0.75000000  1.0
  B  B13  1  0.06193240  0.38241358  0.25000000  1.0
  B  B14  1  0.93806760  0.61758642  0.75000000  1.0
  B  B15  1  0.43806760  0.88241358  0.25000000  1.0