# generated using pymatgen
data_Nd4SiI5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.04431004
_cell_length_b   10.04431013
_cell_length_c   8.97726060
_cell_angle_alpha   77.57826950
_cell_angle_beta   77.57826950
_cell_angle_gamma   24.98301394
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd4SiI5
_chemical_formula_sum   'Nd4 Si1 I5'
_cell_volume   373.12216047
_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  0.85338105  0.85338105  0.07525557  1.0
  Nd  Nd1  1  0.14661895  0.14661895  0.92474443  1.0
  Nd  Nd2  1  0.50074919  0.50074919  0.21488262  1.0
  Nd  Nd3  1  0.49925081  0.49925081  0.78511738  1.0
  Si  Si4  1  0.00000000  0.00000000  0.00000000  1.0
  I  I5  1  0.67201273  0.67201273  0.17307732  1.0
  I  I6  1  0.32798727  0.32798727  0.82692268  1.0
  I  I7  1  0.66667353  0.66667353  0.66036917  1.0
  I  I8  1  0.33332647  0.33332647  0.33963083  1.0
  I  I9  1  0.00000000  0.00000000  0.50000000  1.0