# generated using pymatgen
data_NdNiB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.93786704
_cell_length_b   6.93786704
_cell_length_c   6.93786704
_cell_angle_alpha   112.81241293
_cell_angle_beta   112.81241293
_cell_angle_gamma   102.97755914
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdNiB4
_chemical_formula_sum   'Nd4 Ni4 B16'
_cell_volume   254.63482006
_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
  Nd  Nd0  1  0.79506000  0.79506000  0.00000000  1.0
  Nd  Nd1  1  0.20494000  0.20494000  0.00000000  1.0
  Nd  Nd2  1  0.75000000  0.25000000  0.50000000  1.0
  Nd  Nd3  1  0.25000000  0.75000000  0.50000000  1.0
  Ni  Ni4  1  0.27205300  0.50000000  0.77205300  1.0
  Ni  Ni5  1  0.72794700  0.50000000  0.22794700  1.0
  Ni  Ni6  1  0.50000000  0.72794700  0.22794700  1.0
  Ni  Ni7  1  0.50000000  0.27205300  0.77205300  1.0
  B  B8  1  0.27562500  0.11243000  0.38805500  1.0
  B  B9  1  0.72437500  0.88757000  0.61194500  1.0
  B  B10  1  0.27562500  0.88757000  0.16319500  1.0
  B  B11  1  0.72437500  0.11243000  0.83680500  1.0
  B  B12  1  0.11243000  0.72437500  0.83680500  1.0
  B  B13  1  0.88757000  0.27562500  0.16319500  1.0
  B  B14  1  0.11243000  0.27562500  0.38805500  1.0
  B  B15  1  0.88757000  0.72437500  0.61194500  1.0
  B  B16  1  0.11312300  0.11312300  0.52948900  1.0
  B  B17  1  0.58363400  0.58363400  0.47051100  1.0
  B  B18  1  0.11312300  0.58363400  0.00000000  1.0
  B  B19  1  0.58363400  0.11312300  0.00000000  1.0
  B  B20  1  0.88687700  0.88687700  0.47051100  1.0
  B  B21  1  0.41636600  0.41636600  0.52948900  1.0
  B  B22  1  0.88687800  0.41636600  0.00000000  1.0
  B  B23  1  0.41636600  0.88687800  0.00000000  1.0