# generated using pymatgen
data_NdAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.50720446
_cell_length_b   6.50719388
_cell_length_c   4.60214612
_cell_angle_alpha   90.00055603
_cell_angle_beta   89.99994750
_cell_angle_gamma   120.00102124
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdAl3
_chemical_formula_sum   'Nd2 Al6'
_cell_volume   168.76203954
_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  0.33333268  0.66666716  0.24999900  1.0
  Nd  Nd1  1  0.66666732  0.33333284  0.75000100  1.0
  Al  Al2  1  0.86046561  0.72093063  0.25000000  1.0
  Al  Al3  1  0.13953181  0.86046830  0.75000000  1.0
  Al  Al4  1  0.72093138  0.86046560  0.74999900  1.0
  Al  Al5  1  0.27906862  0.13953440  0.25000100  1.0
  Al  Al6  1  0.86046819  0.13953170  0.25000000  1.0
  Al  Al7  1  0.13953439  0.27906937  0.75000100  1.0