# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.53685979
_cell_length_b   12.80158436
_cell_length_c   47.66273130
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al21 Ni63'
_cell_volume   2158.0449762
_cell_formula_units_Z   21
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  0.504353  0.350258  0.332590  1
  Al  Al2  1  0.504353  0.118526  0.287876  1
  Al  Al3  1  0.504353  0.735395  0.307863  1
  Al  Al4  1  0.504353  0.195758  0.393943  1
  Al  Al5  1  0.504353  0.965773  0.352686  1
  Al  Al6  1  0.504353  0.581315  0.373080  1
  Al  Al7  1  0.504353  0.041401  0.456542  1
  Al  Al8  1  0.504353  0.810987  0.414456  1
  Al  Al9  1  0.504353  0.426417  0.435839  1
  Al  Al10  1  0.504353  0.886943  0.519028  1
  Al  Al11  1  0.504353  0.656677  0.477324  1
  Al  Al12  1  0.504353  0.271748  0.498377  1
  Al  Al13  1  0.504353  0.732369  0.581587  1
  Al  Al14  1  0.504353  0.501966  0.540008  1
  Al  Al15  1  0.504353  0.117426  0.561030  1
  Al  Al16  1  0.504353  0.577566  0.643943  1
  Al  Al17  1  0.504353  0.347541  0.602851  1
  Al  Al18  1  0.504353  0.962911  0.623322  1
  Al  Al19  1  0.504353  0.424832  0.707836  1
  Al  Al20  1  0.504353  0.193719  0.666023  1
  Al  Al21  1  0.504353  0.809558  0.685936  1
  Ni  Ni22  1  0.504353  0.540484  0.321185  1
  Ni  Ni23  1  0.504353  0.316204  0.282284  1
  Ni  Ni24  1  0.504353  0.928624  0.301779  1
  Ni  Ni25  1  1.004353  0.426495  0.300655  1
  Ni  Ni26  1  1.004353  0.042747  0.320840  1
  Ni  Ni27  1  1.004353  0.658722  0.341522  1
  Ni  Ni28  1  1.004353  0.609863  0.291813  1
  Ni  Ni29  1  1.004353  0.233759  0.310919  1
  Ni  Ni30  1  1.004353  0.849635  0.330915  1
  Ni  Ni31  1  0.504353  0.388758  0.383955  1
  Ni  Ni32  1  0.504353  0.157244  0.341498  1
  Ni  Ni33  1  0.504353  0.772727  0.361712  1
  Ni  Ni34  1  1.004353  0.272711  0.362786  1
  Ni  Ni35  1  1.004353  0.887728  0.383138  1
  Ni  Ni36  1  1.004353  0.503928  0.404507  1
  Ni  Ni37  1  1.004353  0.466138  0.352478  1
  Ni  Ni38  1  1.004353  0.080711  0.372927  1
  Ni  Ni39  1  1.004353  0.696204  0.393636  1
  Ni  Ni40  1  0.504353  0.233833  0.446172  1
  Ni  Ni41  1  0.504353  0.003489  0.404440  1
  Ni  Ni42  1  0.504353  0.618893  0.425185  1
  Ni  Ni43  1  1.004353  0.118673  0.425247  1
  Ni  Ni44  1  1.004353  0.733900  0.445926  1
  Ni  Ni45  1  1.004353  0.349019  0.467080  1
  Ni  Ni46  1  1.004353  0.311084  0.414962  1
  Ni  Ni47  1  1.004353  0.926091  0.435524  1
  Ni  Ni48  1  1.004353  0.541567  0.456572  1
  Ni  Ni49  1  0.504353  0.079395  0.508763  1
  Ni  Ni50  1  0.504353  0.848952  0.466786  1
  Ni  Ni51  1  0.504353  0.464213  0.487908  1
  Ni  Ni52  1  1.004353  0.964153  0.487768  1
  Ni  Ni53  1  1.004353  0.579340  0.508666  1
  Ni  Ni54  1  1.004353  0.194560  0.529703  1
  Ni  Ni55  1  1.004353  0.156598  0.477466  1
  Ni  Ni56  1  1.004353  0.771774  0.498132  1
  Ni  Ni57  1  1.004353  0.386885  0.519239  1
  Ni  Ni58  1  0.504353  0.924878  0.571204  1
  Ni  Ni59  1  0.504353  0.694476  0.529459  1
  Ni  Ni60  1  0.504353  0.309683  0.550602  1
  Ni  Ni61  1  1.004353  0.809651  0.550296  1
  Ni  Ni62  1  1.004353  0.424703  0.571429  1
  Ni  Ni63  1  1.004353  0.040229  0.592198  1
  Ni  Ni64  1  1.004353  1.002173  0.539992  1
  Ni  Ni65  1  1.004353  0.617132  0.560734  1
  Ni  Ni66  1  1.004353  0.232460  0.581990  1
  Ni  Ni67  1  0.504353  0.770456  0.633825  1
  Ni  Ni68  1  0.504353  0.539648  0.592071  1
  Ni  Ni69  1  0.504353  0.155519  0.613499  1
  Ni  Ni70  1  1.004353  0.654913  0.612712  1
  Ni  Ni71  1  1.004353  0.270381  0.634257  1
  Ni  Ni72  1  1.004353  0.885757  0.654325  1
  Ni  Ni73  1  1.004353  0.847504  0.602409  1
  Ni  Ni74  1  1.004353  0.462389  0.623740  1
  Ni  Ni75  1  1.004353  0.077873  0.644302  1
  Ni  Ni76  1  0.504353  0.615784  0.695796  1
  Ni  Ni77  1  0.504353  0.385880  0.655040  1
  Ni  Ni78  1  0.504353  1.001452  0.675720  1
  Ni  Ni79  1  1.004353  0.501876  0.675757  1
  Ni  Ni80  1  1.004353  0.114326  0.695547  1
  Ni  Ni81  1  1.004353  0.727998  0.714385  1
  Ni  Ni82  1  1.004353  0.693081  0.664259  1
  Ni  Ni83  1  1.004353  0.309000  0.685741  1
  Ni  Ni84  1  1.004353  0.924643  0.705094  1
