# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.98438973
_cell_length_b   9.81248880
_cell_length_c   51.03162982
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al30 Ni50'
_cell_volume   1995.1723844
_cell_formula_units_Z   10
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  Al1  1  1.001942  0.290670  0.330133  1
  Al  Al2  1  0.501942  0.105974  0.304400  1
  Al  Al3  1  0.501942  0.455761  0.352036  1
  Al  Al4  1  1.001942  0.790670  0.330133  1
  Al  Al5  1  0.501942  0.605974  0.304400  1
  Al  Al6  1  0.501942  0.955761  0.352036  1
  Al  Al7  1  1.001942  0.951786  0.420250  1
  Al  Al8  1  0.501942  0.777723  0.396144  1
  Al  Al9  1  0.501942  0.121687  0.443603  1
  Al  Al10  1  1.001942  0.451786  0.420250  1
  Al  Al11  1  0.501942  0.277723  0.396144  1
  Al  Al12  1  0.501942  0.621687  0.443603  1
  Al  Al13  1  1.001942  0.612609  0.511247  1
  Al  Al14  1  0.501942  0.440436  0.487509  1
  Al  Al15  1  0.501942  0.783660  0.534813  1
  Al  Al16  1  1.001942  0.112609  0.511247  1
  Al  Al17  1  0.501942  0.940436  0.487509  1
  Al  Al18  1  0.501942  0.283660  0.534813  1
  Al  Al19  1  1.001942  0.274425  0.602461  1
  Al  Al20  1  0.501942  0.101599  0.578614  1
  Al  Al21  1  0.501942  0.444584  0.626013  1
  Al  Al22  1  1.001942  0.774425  0.602461  1
  Al  Al23  1  0.501942  0.601599  0.578614  1
  Al  Al24  1  0.501942  0.944584  0.626013  1
  Al  Al25  1  1.001942  0.943783  0.693180  1
  Al  Al26  1  0.501942  0.761407  0.669094  1
  Al  Al27  1  0.501942  0.096264  0.716994  1
  Al  Al28  1  1.001942  0.443783  0.693180  1
  Al  Al29  1  0.501942  0.261407  0.669094  1
  Al  Al30  1  0.501942  0.596264  0.716994  1
  Ni  Ni31  1  1.001942  0.463613  0.286447  1
  Ni  Ni32  1  1.001942  0.715475  0.285448  1
  Ni  Ni33  1  1.001942  0.042012  0.330438  1
  Ni  Ni34  1  0.501942  0.200997  0.350507  1
  Ni  Ni35  1  0.501942  0.357561  0.306414  1
  Ni  Ni36  1  1.001942  0.963613  0.286447  1
  Ni  Ni37  1  1.001942  0.215475  0.285448  1
  Ni  Ni38  1  1.001942  0.542012  0.330438  1
  Ni  Ni39  1  0.501942  0.700997  0.350507  1
  Ni  Ni40  1  0.501942  0.857561  0.306414  1
  Ni  Ni41  1  1.001942  0.122741  0.375024  1
  Ni  Ni42  1  1.001942  0.372573  0.374935  1
  Ni  Ni43  1  1.001942  0.701966  0.420264  1
  Ni  Ni44  1  0.501942  0.867723  0.442104  1
  Ni  Ni45  1  0.501942  0.031252  0.397587  1
  Ni  Ni46  1  1.001942  0.622741  0.375024  1
  Ni  Ni47  1  1.001942  0.872573  0.374935  1
  Ni  Ni48  1  1.001942  0.201966  0.420264  1
  Ni  Ni49  1  0.501942  0.367723  0.442104  1
  Ni  Ni50  1  0.501942  0.531252  0.397587  1
  Ni  Ni51  1  1.001942  0.782095  0.465737  1
  Ni  Ni52  1  1.001942  0.032094  0.465717  1
  Ni  Ni53  1  1.001942  0.362660  0.511268  1
  Ni  Ni54  1  0.501942  0.529747  0.533300  1
  Ni  Ni55  1  0.501942  0.694215  0.488985  1
  Ni  Ni56  1  1.001942  0.282095  0.465737  1
  Ni  Ni57  1  1.001942  0.532094  0.465717  1
  Ni  Ni58  1  1.001942  0.862660  0.511268  1
  Ni  Ni59  1  0.501942  0.029747  0.533300  1
  Ni  Ni60  1  0.501942  0.194215  0.488985  1
  Ni  Ni61  1  1.001942  0.443425  0.556874  1
  Ni  Ni62  1  1.001942  0.693415  0.556825  1
  Ni  Ni63  1  1.001942  0.024474  0.602537  1
  Ni  Ni64  1  0.501942  0.190196  0.624177  1
  Ni  Ni65  1  0.501942  0.355476  0.580158  1
  Ni  Ni66  1  1.001942  0.943425  0.556874  1
  Ni  Ni67  1  1.001942  0.193415  0.556825  1
  Ni  Ni68  1  1.001942  0.524474  0.602537  1
  Ni  Ni69  1  0.501942  0.690196  0.624177  1
  Ni  Ni70  1  0.501942  0.855476  0.580158  1
  Ni  Ni71  1  1.001942  0.106404  0.648365  1
  Ni  Ni72  1  1.001942  0.356320  0.648121  1
  Ni  Ni73  1  1.001942  0.693411  0.694009  1
  Ni  Ni74  1  0.501942  0.843746  0.713786  1
  Ni  Ni75  1  0.501942  0.016366  0.670934  1
  Ni  Ni76  1  1.001942  0.606404  0.648365  1
  Ni  Ni77  1  1.001942  0.856320  0.648121  1
  Ni  Ni78  1  1.001942  0.193411  0.694009  1
  Ni  Ni79  1  0.501942  0.343746  0.713786  1
  Ni  Ni80  1  0.501942  0.516366  0.670934  1
