# generated using pymatgen
data_Ni4B3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36859894
_cell_length_b   4.88719005
_cell_length_c   7.83222766
_cell_angle_alpha   90.00000000
_cell_angle_beta   102.20021453
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni4B3
_chemical_formula_sum   'Ni16 B12'
_cell_volume   238.26896387
_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  0.04503900  0.75236100  0.49107600  1
  Ni  Ni1  1  0.95496100  0.24763900  0.50892400  1
  Ni  Ni2  1  0.20577400  0.42871000  0.28958900  1
  Ni  Ni3  1  0.04503900  0.24763900  0.99107600  1
  Ni  Ni4  1  0.95496100  0.75236100  0.00892400  1
  Ni  Ni5  1  0.79422600  0.57129000  0.71041100  1
  Ni  Ni6  1  0.20577400  0.57129000  0.78958900  1
  Ni  Ni7  1  0.79422600  0.42871000  0.21041100  1
  Ni  Ni8  1  0.54503900  0.25236100  0.49107600  1
  Ni  Ni9  1  0.45496100  0.74763900  0.50892400  1
  Ni  Ni10  1  0.70577400  0.92871000  0.28958900  1
  Ni  Ni11  1  0.54503900  0.74763900  0.99107600  1
  Ni  Ni12  1  0.45496100  0.25236100  0.00892400  1
  Ni  Ni13  1  0.29422600  0.07129000  0.71041100  1
  Ni  Ni14  1  0.70577400  0.07129000  0.78958900  1
  Ni  Ni15  1  0.29422600  0.92871000  0.21041100  1
  B  B16  1  0.73370200  0.57790100  0.44047100  1
  B  B17  1  0.26629800  0.42209900  0.55952900  1
  B  B18  1  0.26629800  0.57790100  0.05952900  1
  B  B19  1  0.73370200  0.42209900  0.94047100  1
  B  B20  1  0.00000000  0.07838600  0.25000000  1
  B  B21  1  0.00000000  0.92161400  0.75000000  1
  B  B22  1  0.23370200  0.07790100  0.44047100  1
  B  B23  1  0.76629800  0.92209900  0.55952900  1
  B  B24  1  0.76629800  0.07790100  0.05952900  1
  B  B25  1  0.23370200  0.92209900  0.94047100  1
  B  B26  1  0.50000000  0.57838600  0.25000000  1
  B  B27  1  0.50000000  0.42161400  0.75000000  1
