# generated using pymatgen
data_Nd4BI5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.92081144
_cell_length_b   9.92081165
_cell_length_c   8.88626302
_cell_angle_alpha   102.45627498
_cell_angle_beta   102.45627441
_cell_angle_gamma   24.47861212
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd4BI5
_chemical_formula_sum   'Nd4 B1 I5'
_cell_volume   353.46002488
_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  0.63956591  0.63956591  0.07114364  1.0
  Nd  Nd1  1  0.99901925  0.99901925  0.20256826  1.0
  Nd  Nd2  1  0.00098075  0.00098075  0.79743174  1.0
  Nd  Nd3  1  0.36043409  0.36043409  0.92885636  1.0
  B  B4  1  0.50000000  0.50000000  0.00000000  1.0
  I  I5  1  0.82774362  0.82774362  0.17738102  1.0
  I  I6  1  0.16654707  0.16654707  0.34436095  1.0
  I  I7  1  0.50000000  0.50000000  0.50000000  1.0
  I  I8  1  0.83345293  0.83345293  0.65563905  1.0
  I  I9  1  0.17225638  0.17225638  0.82261898  1.0