# generated using pymatgen
data_NdAl2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82894133
_cell_length_b   5.82894133
_cell_length_c   6.88257657
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   139.43235469
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdAl2Ni
_chemical_formula_sum   'Nd2 Al4 Ni2'
_cell_volume   152.08082624
_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  0.55404191  0.44595809  0.25000000  1.0
  Nd  Nd1  1  0.44595809  0.55404191  0.75000000  1.0
  Al  Al2  1  0.82846342  0.17153658  0.05778595  1.0
  Al  Al3  1  0.17153658  0.82846342  0.94221405  1.0
  Al  Al4  1  0.17153658  0.82846342  0.55778595  1.0
  Al  Al5  1  0.82846342  0.17153658  0.44221405  1.0
  Ni  Ni6  1  0.28147678  0.71852322  0.25000000  1.0
  Ni  Ni7  1  0.71852322  0.28147678  0.75000000  1.0