# generated using pymatgen
data_Nd4B4I5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.85009830
_cell_length_b   9.85009782
_cell_length_c   10.20720446
_cell_angle_alpha   74.48758942
_cell_angle_beta   74.48758920
_cell_angle_gamma   25.29174826
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd4B4I5
_chemical_formula_sum   'Nd4 B4 I5'
_cell_volume   406.90022006
_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  0.50549476  0.50549476  0.75283363  1.0
  Nd  Nd1  1  0.49616143  0.49616143  0.24588268  1.0
  Nd  Nd2  1  0.13328760  0.13328760  0.93418956  1.0
  Nd  Nd3  1  0.86824990  0.86824990  0.06462849  1.0
  B  B4  1  0.31622980  0.68528992  0.99938789  1.0
  B  B5  1  0.68528992  0.31622980  0.99938789  1.0
  B  B6  1  0.99966828  0.99966828  0.09483485  1.0
  B  B7  1  0.00182288  0.00182288  0.90395963  1.0
  I  I8  1  0.67930744  0.67930744  0.68688377  1.0
  I  I9  1  0.32230334  0.32230334  0.31261826  1.0
  I  I10  1  0.32808660  0.32808660  0.85314834  1.0
  I  I11  1  0.67360804  0.67360804  0.14508646  1.0
  I  I12  1  0.00478900  0.00478900  0.49735956  1.0