# generated using pymatgen
data_Ni4B3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98129833
_cell_length_b   6.51163215
_cell_length_c   11.84242663
_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   229.89842622
_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  0.50822380  0.64832311  1.0
  Ni  Ni1  1  0.75000000  0.61878136  0.79928642  1.0
  Ni  Ni2  1  0.25000000  0.11878136  0.70071358  1.0
  Ni  Ni3  1  0.75000000  0.25103093  0.05047960  1.0
  Ni  Ni4  1  0.25000000  0.99177620  0.14832311  1.0
  Ni  Ni5  1  0.75000000  0.66898395  0.12323657  1.0
  Ni  Ni6  1  0.25000000  0.74896907  0.94952040  1.0
  Ni  Ni7  1  0.75000000  0.00822380  0.85167689  1.0
  Ni  Ni8  1  0.75000000  0.49177620  0.35167689  1.0
  Ni  Ni9  1  0.25000000  0.75103093  0.44952040  1.0
  Ni  Ni10  1  0.25000000  0.16898395  0.37676343  1.0
  Ni  Ni11  1  0.75000000  0.83101605  0.62323657  1.0
  Ni  Ni12  1  0.75000000  0.88121864  0.29928642  1.0
  Ni  Ni13  1  0.75000000  0.24896907  0.55047960  1.0
  Ni  Ni14  1  0.25000000  0.33101605  0.87676343  1.0
  Ni  Ni15  1  0.25000000  0.38121864  0.20071358  1.0
  B  B16  1  0.75000000  0.31554773  0.74261412  1.0
  B  B17  1  0.25000000  0.06319159  0.97452147  1.0
  B  B18  1  0.75000000  0.52198248  0.96029056  1.0
  B  B19  1  0.75000000  0.93680841  0.02547853  1.0
  B  B20  1  0.75000000  0.56319159  0.52547853  1.0
  B  B21  1  0.25000000  0.47801752  0.03970944  1.0
  B  B22  1  0.25000000  0.68445227  0.25738588  1.0
  B  B23  1  0.25000000  0.02198248  0.53970944  1.0
  B  B24  1  0.75000000  0.97801752  0.46029056  1.0
  B  B25  1  0.75000000  0.18445227  0.24261412  1.0
  B  B26  1  0.25000000  0.81554773  0.75738588  1.0
  B  B27  1  0.25000000  0.43680841  0.47452147  1.0