# generated using pymatgen
data_Ni4B3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.91040694
_cell_length_b   2.99196307
_cell_length_c   6.57076773
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni4B3
_chemical_formula_sum   'Ni16 B12'
_cell_volume   234.15257842
_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  0.25000000  0.51059100  0.64868900  1
  Ni  Ni1  1  0.75000000  0.62308200  0.80021700  1
  Ni  Ni2  1  0.25000000  0.12308200  0.69978300  1
  Ni  Ni3  1  0.75000000  0.24964300  0.04900400  1
  Ni  Ni4  1  0.25000000  0.98940900  0.14868900  1
  Ni  Ni5  1  0.75000000  0.66606800  0.12451300  1
  Ni  Ni6  1  0.25000000  0.75035700  0.95099600  1
  Ni  Ni7  1  0.75000000  0.01059100  0.85131100  1
  Ni  Ni8  1  0.75000000  0.48940900  0.35131100  1
  Ni  Ni9  1  0.25000000  0.74964300  0.45099600  1
  Ni  Ni10  1  0.25000000  0.16606800  0.37548700  1
  Ni  Ni11  1  0.75000000  0.83393200  0.62451300  1
  Ni  Ni12  1  0.75000000  0.87691800  0.30021700  1
  Ni  Ni13  1  0.75000000  0.25035700  0.54900400  1
  Ni  Ni14  1  0.25000000  0.33393200  0.87548700  1
  Ni  Ni15  1  0.25000000  0.37691800  0.19978300  1
  B  B16  1  0.75000000  0.32164600  0.74125300  1
  B  B17  1  0.25000000  0.06265500  0.97502600  1
  B  B18  1  0.75000000  0.52238500  0.96171200  1
  B  B19  1  0.75000000  0.93734500  0.02497400  1
  B  B20  1  0.75000000  0.56265500  0.52497400  1
  B  B21  1  0.25000000  0.47761500  0.03828800  1
  B  B22  1  0.25000000  0.67835400  0.25874700  1
  B  B23  1  0.25000000  0.02238500  0.53828800  1
  B  B24  1  0.75000000  0.97761500  0.46171200  1
  B  B25  1  0.75000000  0.17835400  0.24125300  1
  B  B26  1  0.25000000  0.82164600  0.75874700  1
  B  B27  1  0.25000000  0.43734500  0.47502600  1
