# generated using pymatgen
data_Nd7SiI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.93168833
_cell_length_b   9.93168868
_cell_length_c   9.93168904
_cell_angle_alpha   107.68169721
_cell_angle_beta   107.68170114
_cell_angle_gamma   107.68168810
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd7SiI12
_chemical_formula_sum   'Nd7 Si1 I12'
_cell_volume   800.20253151
_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  0.68728416  0.96657855  0.89605584  1.0
  Nd  Nd1  1  0.96657855  0.89605584  0.68728416  1.0
  Nd  Nd2  1  0.50000000  0.50000000  0.50000000  1.0
  Nd  Nd3  1  0.10394416  0.31271584  0.03342145  1.0
  Nd  Nd4  1  0.31271584  0.03342145  0.10394416  1.0
  Nd  Nd5  1  0.89605584  0.68728416  0.96657855  1.0
  Nd  Nd6  1  0.03342145  0.10394416  0.31271584  1.0
  Si  Si7  1  0.00000000  0.00000000  0.00000000  1.0
  I  I8  1  0.07866387  0.23201784  0.68731878  1.0
  I  I9  1  0.39132108  0.15443380  0.47175972  1.0
  I  I10  1  0.60867892  0.84556620  0.52824028  1.0
  I  I11  1  0.23201784  0.68731878  0.07866387  1.0
  I  I12  1  0.76798216  0.31268122  0.92133613  1.0
  I  I13  1  0.68731878  0.07866387  0.23201784  1.0
  I  I14  1  0.52824028  0.60867892  0.84556620  1.0
  I  I15  1  0.84556620  0.52824028  0.60867892  1.0
  I  I16  1  0.92133613  0.76798216  0.31268122  1.0
  I  I17  1  0.31268122  0.92133613  0.76798216  1.0
  I  I18  1  0.47175972  0.39132108  0.15443380  1.0
  I  I19  1  0.15443380  0.47175972  0.39132108  1.0