# generated using pymatgen
data_NdB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.12058789
_cell_length_b   7.23931577
_cell_length_c   7.23931577
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdB4
_chemical_formula_sum   'Nd4 B16'
_cell_volume   215.95050437
_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  -0.00000000  0.68303436  0.18303436  1.0
  Nd  Nd1  1  -0.00000000  0.81696564  0.68303436  1.0
  Nd  Nd2  1  -0.00000000  0.18303436  0.31696564  1.0
  Nd  Nd3  1  -0.00000000  0.31696564  0.81696564  1.0
  B  B4  1  0.50000000  0.58820875  0.91179125  1.0
  B  B5  1  0.50000000  0.08820875  0.58820875  1.0
  B  B6  1  0.50000000  0.91179125  0.41179125  1.0
  B  B7  1  0.50000000  0.41179125  0.08820875  1.0
  B  B8  1  0.50000000  0.17372881  0.03869389  1.0
  B  B9  1  0.50000000  0.96130611  0.17372881  1.0
  B  B10  1  0.50000000  0.03869389  0.82627119  1.0
  B  B11  1  0.50000000  0.82627119  0.96130611  1.0
  B  B12  1  0.50000000  0.67372881  0.46130611  1.0
  B  B13  1  0.50000000  0.32627119  0.53869389  1.0
  B  B14  1  0.50000000  0.53869389  0.67372881  1.0
  B  B15  1  0.50000000  0.46130611  0.32627119  1.0
  B  B16  1  0.20499340  -0.00000000  0.00000000  1.0
  B  B17  1  0.79500660  0.50000000  0.50000000  1.0
  B  B18  1  0.79500660  -0.00000000  0.00000000  1.0
  B  B19  1  0.20499340  0.50000000  0.50000000  1.0