# generated using pymatgen
data_Nd4Al3NiI2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31705317
_cell_length_b   4.31705432
_cell_length_c   17.11712027
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999880
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd4Al3NiI2
_chemical_formula_sum   'Nd4 Al3 Ni1 I2'
_cell_volume   276.27160498
_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  0.00000000  0.00000000  0.10163030  1.0
  Nd  Nd1  1  0.00000000  0.00000000  0.38104529  1.0
  Nd  Nd2  1  0.00000000  0.00000000  0.61955108  1.0
  Nd  Nd3  1  0.00000000  0.00000000  0.89562808  1.0
  Al  Al4  1  0.33333300  0.66666600  0.49313327  1.0
  Al  Al5  1  0.66666800  0.33333400  0.50754731  1.0
  Al  Al6  1  0.66666800  0.33333400  0.99699543  1.0
  Ni  Ni7  1  0.33333300  0.66666600  0.00316182  1.0
  I  I8  1  0.66666800  0.33333400  0.24891037  1.0
  I  I9  1  0.33333300  0.66666600  0.75239604  1.0