# generated using pymatgen
data_Ca(Al3Ni)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.10132511
_cell_length_b   10.10134601
_cell_length_c   10.10133145
_cell_angle_alpha   42.01224974
_cell_angle_beta   42.01234034
_cell_angle_gamma   42.01237330
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(Al3Ni)3
_chemical_formula_sum   'Ca2 Al18 Ni6'
_cell_volume   417.65579955
_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
  Ca  Ca0  1  0.16680877  0.16681081  0.16680964  1.0
  Ca  Ca1  1  0.83321770  0.83322003  0.83321704  1.0
  Al  Al2  1  0.10291625  0.43015311  0.75736726  1.0
  Al  Al3  1  0.43015266  0.75736484  0.10291725  1.0
  Al  Al4  1  0.56984757  0.89708079  0.24263739  1.0
  Al  Al5  1  0.94853659  0.94852413  0.94852819  1.0
  Al  Al6  1  0.05147623  0.05147481  0.05147515  1.0
  Al  Al7  1  0.29134454  0.70865280  0.49999790  1.0
  Al  Al8  1  0.89707616  0.24264324  0.56984654  1.0
  Al  Al9  1  0.38485530  0.38485018  0.38485419  1.0
  Al  Al10  1  0.50000024  0.29134114  0.70865680  1.0
  Al  Al11  1  0.24263970  0.56985181  0.89707491  1.0
  Al  Al12  1  0.71809022  0.71809071  0.71809291  1.0
  Al  Al13  1  0.61514588  0.61514411  0.61514885  1.0
  Al  Al14  1  0.33335044  0.00000307  0.66664094  1.0
  Al  Al15  1  0.70865894  0.49999956  0.29133868  1.0
  Al  Al16  1  0.66664491  0.33334665  0.00000365  1.0
  Al  Al17  1  0.28190559  0.28190539  0.28190295  1.0
  Al  Al18  1  0.99999653  0.66663984  0.33335582  1.0
  Al  Al19  1  0.75736503  0.10291585  0.43015173  1.0
  Ni  Ni20  1  0.41731677  0.07814114  0.75619730  1.0
  Ni  Ni21  1  0.58267275  0.24376817  0.92188768  1.0
  Ni  Ni22  1  0.07813463  0.75619578  0.41731985  1.0
  Ni  Ni23  1  0.75619505  0.41732044  0.07814205  1.0
  Ni  Ni24  1  0.92188191  0.58267448  0.24376585  1.0
  Ni  Ni25  1  0.24376962  0.92188712  0.58266950  1.0