# generated using pymatgen
data_NdNiBN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62898864
_cell_length_b   3.62898864
_cell_length_c   7.51610817
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdNiBN
_chemical_formula_sum   'Nd2 Ni2 B2 N2'
_cell_volume   98.98382643
_cell_formula_units_Z   2
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  0.00000000  0.50000000  0.32743921  1.0
  Nd  Nd1  1  0.50000000  0.00000000  0.67256079  1.0
  Ni  Ni2  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni3  1  0.50000000  0.50000000  0.00000000  1.0
  B  B4  1  0.00000000  0.50000000  0.85063700  1.0
  B  B5  1  0.50000000  0.00000000  0.14936300  1.0
  N  N6  1  0.00000000  0.50000000  0.65701996  1.0
  N  N7  1  0.50000000  0.00000000  0.34298004  1.0