# generated using pymatgen
data_NdTh3(NiB4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.94656756
_cell_length_b   6.94656773
_cell_length_c   6.94656793
_cell_angle_alpha   112.71139324
_cell_angle_beta   112.71139317
_cell_angle_gamma   103.16882125
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdTh3(NiB4)4
_chemical_formula_sum   'Nd1 Th3 Ni4 B16'
_cell_volume   255.73482891
_cell_formula_units_Z   1
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  0.25000000  0.75000000  0.50000000  1.0
  Th  Th1  1  0.79496133  0.79496133  1.00000000  1.0
  Th  Th2  1  0.20503867  0.20503867  0.00000000  1.0
  Th  Th3  1  0.75000000  0.25000000  0.50000000  1.0
  Ni  Ni4  1  0.27273159  0.49973507  0.77299652  1.0
  Ni  Ni5  1  0.72673856  0.49973507  0.22700348  1.0
  Ni  Ni6  1  0.50026493  0.72726841  0.22700348  1.0
  Ni  Ni7  1  0.50026493  0.27326144  0.77299652  1.0
  B  B8  1  0.27424937  0.11206344  0.38546599  1.0
  B  B9  1  0.72659745  0.88878338  0.61453401  1.0
  B  B10  1  0.27424937  0.88878338  0.16218593  1.0
  B  B11  1  0.72659745  0.11206344  0.83781407  1.0
  B  B12  1  0.11121662  0.72575063  0.83781407  1.0
  B  B13  1  0.88793656  0.27340255  0.16218593  1.0
  B  B14  1  0.11121662  0.27340255  0.38546599  1.0
  B  B15  1  0.88793656  0.72575063  0.61453401  1.0
  B  B16  1  0.11408402  0.11455191  0.53219800  1.0
  B  B17  1  0.58235391  0.58188502  0.46780200  1.0
  B  B18  1  0.11408402  0.58188502  0.99953110  1.0
  B  B19  1  0.58235391  0.11455191  0.00046890  1.0
  B  B20  1  0.88544809  0.88591598  0.46780200  1.0
  B  B21  1  0.41811498  0.41764609  0.53219800  1.0
  B  B22  1  0.88544909  0.41764609  0.99953110  1.0
  B  B23  1  0.41811498  0.88591698  0.00046890  1.0