# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55681598
_cell_length_b   7.29431271
_cell_length_c   4.80688469
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al12 Ni4'
_cell_volume   229.90111475
_cell_formula_units_Z   4
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
  Al  Al0  1  0.91517400  0.00856700  0.25000000  1
  Al  Al1  1  0.36105700  0.17143300  0.44541700  1
  Al  Al2  1  0.36105700  0.17143300  0.05458300  1
  Al  Al3  1  0.86105700  0.32856700  0.55458300  1
  Al  Al4  1  0.13894300  0.67143300  0.44541700  1
  Al  Al5  1  0.63894300  0.82856700  0.94541700  1
  Al  Al6  1  0.13894300  0.67143300  0.05458300  1
  Al  Al7  1  0.63894300  0.82856700  0.55458300  1
  Al  Al8  1  0.86105700  0.32856700  0.94541700  1
  Al  Al9  1  0.58482600  0.50856700  0.25000000  1
  Al  Al10  1  0.08482600  0.99143300  0.75000000  1
  Al  Al11  1  0.41517400  0.49143300  0.75000000  1
  Ni  Ni12  1  0.44383600  0.87125500  0.25000000  1
  Ni  Ni13  1  0.05616400  0.37125500  0.25000000  1
  Ni  Ni14  1  0.55616400  0.12874500  0.75000000  1
  Ni  Ni15  1  0.94383600  0.62874500  0.75000000  1
