# generated using pymatgen
data_Nd7CI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.78451673
_cell_length_b   9.78451682
_cell_length_c   9.78451527
_cell_angle_alpha   107.66801042
_cell_angle_beta   107.66801273
_cell_angle_gamma   107.66800629
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd7CI12
_chemical_formula_sum   'Nd7 C1 I12'
_cell_volume   765.46358195
_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  0.10586563  0.03975212  0.29543131  1.0
  Nd  Nd1  1  0.29543131  0.10586563  0.03975212  1.0
  Nd  Nd2  1  0.03975212  0.29543131  0.10586563  1.0
  Nd  Nd3  1  0.70858753  0.90779870  0.97647353  1.0
  Nd  Nd4  1  0.97647353  0.70858753  0.90779870  1.0
  Nd  Nd5  1  0.90779870  0.97647353  0.70858753  1.0
  Nd  Nd6  1  0.47010467  0.47010467  0.47010467  1.0
  C  C7  1  0.99184236  0.99184236  0.99184236  1.0
  I  I8  1  0.77496697  0.92160754  0.31671048  1.0
  I  I9  1  0.39130558  0.47619368  0.14051248  1.0
  I  I10  1  0.47619368  0.14051248  0.39130558  1.0
  I  I11  1  0.14051248  0.39130558  0.47619368  1.0
  I  I12  1  0.31671048  0.77496697  0.92160754  1.0
  I  I13  1  0.92160754  0.31671048  0.77496697  1.0
  I  I14  1  0.61269779  0.53411540  0.84071308  1.0
  I  I15  1  0.84071308  0.61269779  0.53411540  1.0
  I  I16  1  0.53411540  0.84071308  0.61269779  1.0
  I  I17  1  0.68843708  0.23415245  0.07828262  1.0
  I  I18  1  0.07828262  0.68843708  0.23415245  1.0
  I  I19  1  0.23415245  0.07828262  0.68843708  1.0