# generated using pymatgen
data_LaNdI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.96332628
_cell_length_b   8.96332628
_cell_length_c   7.86212897
_cell_angle_alpha   68.29054087
_cell_angle_beta   68.29054087
_cell_angle_gamma   109.86119110
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNdI4
_chemical_formula_sum   'La2 Nd2 I8'
_cell_volume   454.59336725
_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
  La  La0  1  0.48850900  0.51149100  0.25000000  1.0
  La  La1  1  0.51149100  0.48850900  0.75000000  1.0
  Nd  Nd2  1  0.86958000  0.13042000  0.75000000  1.0
  Nd  Nd3  1  0.13042000  0.86958000  0.25000000  1.0
  I  I4  1  0.18680600  0.55774900  0.59454100  1.0
  I  I5  1  0.81319400  0.44225100  0.40545900  1.0
  I  I6  1  0.55774900  0.18680600  0.09454100  1.0
  I  I7  1  0.87248600  0.75306400  0.75598000  1.0
  I  I8  1  0.44225100  0.81319400  0.90545900  1.0
  I  I9  1  0.12751400  0.24693600  0.24402000  1.0
  I  I10  1  0.24693600  0.12751400  0.74402000  1.0
  I  I11  1  0.75306400  0.87248600  0.25598000  1.0