# generated using pymatgen
data_Nd3AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08674632
_cell_length_b   5.58492844
_cell_length_c   13.52954690
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   111.46129791
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3AlNi3
_chemical_formula_sum   'Nd6 Al2 Ni6'
_cell_volume   287.39015675
_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  0.21912533  0.43825067  0.39526045  1.0
  Nd  Nd1  1  0.78087467  0.56174933  0.60473955  1.0
  Nd  Nd2  1  0.21912533  0.43825067  0.10473955  1.0
  Nd  Nd3  1  0.78087467  0.56174933  0.89526045  1.0
  Nd  Nd4  1  0.50036563  0.00073125  0.25000000  1.0
  Nd  Nd5  1  0.49963437  0.99926875  0.75000000  1.0
  Al  Al6  1  0.50000000  0.00000000  0.50000000  1.0
  Al  Al7  1  0.50000000  0.00000000  0.00000000  1.0
  Ni  Ni8  1  0.93004077  0.86008355  0.41359124  1.0
  Ni  Ni9  1  0.06995923  0.13991645  0.58640876  1.0
  Ni  Ni10  1  0.93004077  0.86008355  0.08640876  1.0
  Ni  Ni11  1  0.06995923  0.13991645  0.91359124  1.0
  Ni  Ni12  1  0.80833509  0.61666817  0.25000000  1.0
  Ni  Ni13  1  0.19166491  0.38333183  0.75000000  1.0