# generated using pymatgen
data_Nd4ReI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.61948596
_cell_length_b   10.61948626
_cell_length_c   6.51201704
_cell_angle_alpha   89.75209476
_cell_angle_beta   89.75209689
_cell_angle_gamma   89.94435394
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd4ReI4
_chemical_formula_sum   'Nd8 Re2 I8'
_cell_volume   734.36877672
_cell_formula_units_Z   2
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  0.77896717  0.08832349  0.00129595  1.0
  Nd  Nd1  1  0.08832349  0.77896717  0.50129595  1.0
  Nd  Nd2  1  0.08778803  0.22060033  0.99754012  1.0
  Nd  Nd3  1  0.22060033  0.08778803  0.49754012  1.0
  Nd  Nd4  1  0.91221197  0.77939967  0.00245988  1.0
  Nd  Nd5  1  0.91167651  0.22103283  0.49870405  1.0
  Nd  Nd6  1  0.22103283  0.91167651  0.99870405  1.0
  Nd  Nd7  1  0.77939967  0.91221197  0.50245988  1.0
  Re  Re8  1  0.00014314  0.99985686  0.25000000  1.0
  Re  Re9  1  0.99985686  0.00014314  0.75000000  1.0
  I  I10  1  0.61444225  0.16800321  0.49713299  1.0
  I  I11  1  0.83252564  0.61481661  0.50065146  1.0
  I  I12  1  0.38518339  0.16747436  0.99934854  1.0
  I  I13  1  0.16747436  0.38518339  0.49934854  1.0
  I  I14  1  0.61481661  0.83252564  0.00065146  1.0
  I  I15  1  0.38555775  0.83199679  0.50286701  1.0
  I  I16  1  0.16800321  0.61444225  0.99713299  1.0
  I  I17  1  0.83199679  0.38555775  0.00286701  1.0