# generated using pymatgen
data_Nd6B2(CI)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.86802143
_cell_length_b   3.91521554
_cell_length_c   10.53797982
_cell_angle_alpha   90.00000000
_cell_angle_beta   113.78195685
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd6B2(CI)3
_chemical_formula_sum   'Nd6 B2 C3 I3'
_cell_volume   334.81277236
_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  0.37007731  0.50000100  0.23170379  1.0
  Nd  Nd1  1  0.62992169  0.50000100  0.76829521  1.0
  Nd  Nd2  1  0.95672157  0.50000100  0.15928144  1.0
  Nd  Nd3  1  0.04327843  0.50000100  0.84071856  1.0
  Nd  Nd4  1  0.29376867  0.00000000  0.47669371  1.0
  Nd  Nd5  1  0.70623133  0.00000000  0.52330629  1.0
  B  B6  1  0.08985804  0.00000000  0.06662364  1.0
  B  B7  1  0.91014396  0.00000000  0.93337736  1.0
  C  C8  1  0.17021035  0.00000000  0.22355807  1.0
  C  C9  1  0.82978965  0.00000000  0.77644093  1.0
  C  C10  1  0.50000000  0.50000100  0.50000000  1.0
  I  I11  1  0.65006823  0.00000000  0.18692577  1.0
  I  I12  1  0.34993277  0.00000000  0.81307523  1.0
  I  I13  1  0.00000000  0.50000100  0.50000000  1.0