# generated using pymatgen
data_NdNi4B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.78365298
_cell_length_b   13.78365298
_cell_length_c   13.78365298
_cell_angle_alpha   158.91962202
_cell_angle_beta   150.81140492
_cell_angle_gamma   36.28377094
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdNi4B
_chemical_formula_sum   'Nd6 Ni24 B6'
_cell_volume   458.81323007
_cell_formula_units_Z   6
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
  Nd  Nd0  1  0.08069100  0.33069100  0.75000000  1.0
  Nd  Nd1  1  0.24043400  0.99043400  0.25000000  1.0
  Nd  Nd2  1  0.41447800  0.66447800  0.75000000  1.0
  Nd  Nd3  1  0.75956600  0.00956600  0.75000000  1.0
  Nd  Nd4  1  0.91930900  0.66930900  0.25000000  1.0
  Nd  Nd5  1  0.58552200  0.33552200  0.25000000  1.0
  Ni  Ni6  1  0.13425000  0.82925900  0.80228100  1.0
  Ni  Ni7  1  0.78805600  0.83278300  0.95527300  1.0
  Ni  Ni8  1  0.81348100  0.56348100  0.25000000  1.0
  Ni  Ni9  1  0.70650900  0.50000000  0.70650900  1.0
  Ni  Ni10  1  0.37751000  0.83278300  0.54472700  1.0
  Ni  Ni11  1  0.29349100  0.00000000  0.79349100  1.0
  Ni  Ni12  1  0.47302200  0.66803000  0.30228100  1.0
  Ni  Ni13  1  0.86288400  0.11288400  0.75000000  1.0
  Ni  Ni14  1  0.02737300  0.77737300  0.25000000  1.0
  Ni  Ni15  1  0.62249000  0.16721700  0.45527300  1.0
  Ni  Ni16  1  0.52697800  0.33197000  0.69771900  1.0
  Ni  Ni17  1  0.13711600  0.88711600  0.25000000  1.0
  Ni  Ni18  1  0.00000000  0.50000000  0.50000000  1.0
  Ni  Ni19  1  0.21194400  0.16721700  0.04472700  1.0
  Ni  Ni20  1  0.47302200  0.17074100  0.80499100  1.0
  Ni  Ni21  1  0.86575000  0.17074100  0.19771900  1.0
  Ni  Ni22  1  0.52697800  0.82925900  0.19500900  1.0
  Ni  Ni23  1  0.13425000  0.33197000  0.30499100  1.0
  Ni  Ni24  1  0.86575000  0.66803000  0.69500900  1.0
  Ni  Ni25  1  0.18651900  0.43651900  0.75000000  1.0
  Ni  Ni26  1  0.70650900  0.00000000  0.20650900  1.0
  Ni  Ni27  1  0.29349100  0.50000000  0.29349100  1.0
  Ni  Ni28  1  0.50000000  0.50000000  0.00000000  1.0
  Ni  Ni29  1  0.97262700  0.22262700  0.75000000  1.0
  B  B30  1  0.29574900  0.54574900  0.75000000  1.0
  B  B31  1  0.35911500  0.10911500  0.25000000  1.0
  B  B32  1  0.64088500  0.89088500  0.75000000  1.0
  B  B33  1  0.70425100  0.45425100  0.25000000  1.0
  B  B34  1  0.47138600  0.22138600  0.25000000  1.0
  B  B35  1  0.52861400  0.77861400  0.75000000  1.0