# generated using pymatgen
data_Nd7BI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.84338896
_cell_length_b   9.84338857
_cell_length_c   9.84339001
_cell_angle_alpha   107.56561590
_cell_angle_beta   107.56561032
_cell_angle_gamma   107.56561380
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd7BI12
_chemical_formula_sum   'Nd7 B1 I12'
_cell_volume   781.71196442
_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  0.79930302  0.53267283  0.60147957  1.0
  Nd  Nd1  1  0.53267283  0.60147957  0.79930302  1.0
  Nd  Nd2  1  0.20069698  0.46732717  0.39852043  1.0
  Nd  Nd3  1  0.46732717  0.39852043  0.20069698  1.0
  Nd  Nd4  1  0.00000000  0.00000000  0.00000000  1.0
  Nd  Nd5  1  0.60147957  0.79930302  0.53267283  1.0
  Nd  Nd6  1  0.39852043  0.20069698  0.46732717  1.0
  B  B7  1  0.50000000  0.50000000  0.50000000  1.0
  I  I8  1  0.72913832  0.18513027  0.57567704  1.0
  I  I9  1  0.97387497  0.89149809  0.65236105  1.0
  I  I10  1  0.57567704  0.72913832  0.18513027  1.0
  I  I11  1  0.10850191  0.34763895  0.02612503  1.0
  I  I12  1  0.65236105  0.97387497  0.89149809  1.0
  I  I13  1  0.89149809  0.65236105  0.97387497  1.0
  I  I14  1  0.02612503  0.10850191  0.34763895  1.0
  I  I15  1  0.81486973  0.42432296  0.27086168  1.0
  I  I16  1  0.34763895  0.02612503  0.10850191  1.0
  I  I17  1  0.27086168  0.81486973  0.42432296  1.0
  I  I18  1  0.18513027  0.57567704  0.72913832  1.0
  I  I19  1  0.42432296  0.27086168  0.81486973  1.0