# generated using pymatgen
data_Ca6Al7O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.39584428
_cell_length_b   10.39587524
_cell_length_c   10.39591876
_cell_angle_alpha   109.47190545
_cell_angle_beta   109.47144534
_cell_angle_gamma   109.47073017
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca6Al7O16
_chemical_formula_sum   'Ca12 Al14 O32'
_cell_volume   864.88738893
_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  0.63868546  0.24999250  0.88867979  1.0
  Ca  Ca1  1  0.86131728  0.75000350  0.61132363  1.0
  Ca  Ca2  1  0.38868768  0.75000049  0.13868702  1.0
  Ca  Ca3  1  0.11131546  0.25000055  0.36131936  1.0
  Ca  Ca4  1  0.88868270  0.63868779  0.24999773  1.0
  Ca  Ca5  1  0.61131749  0.86131829  0.74999708  1.0
  Ca  Ca6  1  0.13868570  0.38868182  0.74999638  1.0
  Ca  Ca7  1  0.36131855  0.11131854  0.24999807  1.0
  Ca  Ca8  1  0.24999936  0.88868062  0.63868361  1.0
  Ca  Ca9  1  0.74999868  0.61131819  0.86132102  1.0
  Ca  Ca10  1  0.74999187  0.13868749  0.38868341  1.0
  Ca  Ca11  1  0.25000268  0.36131373  0.11131913  1.0
  Al  Al12  1  0.37500709  0.25000612  0.62500866  1.0
  Al  Al13  1  0.12498800  0.74996536  0.87499930  1.0
  Al  Al14  1  0.62501983  0.37502620  0.24999700  1.0
  Al  Al15  1  0.87502617  0.12502238  0.74999654  1.0
  Al  Al16  1  0.24996985  0.62496992  0.37497307  1.0
  Al  Al17  1  0.75001580  0.87503457  0.12501929  1.0
  Al  Al18  1  0.49999241  0.00000973  0.03426230  1.0
  Al  Al19  1  0.03426848  0.49999563  0.00000343  1.0
  Al  Al20  1  0.00001051  0.03427315  0.50000306  1.0
  Al  Al21  1  0.46573800  0.46572718  0.46573389  1.0
  Al  Al22  1  0.53427031  0.50001469  0.00000254  1.0
  Al  Al23  1  0.49999932  -0.00001338  0.53425579  1.0
  Al  Al24  1  0.00000067  0.53426526  0.50000667  1.0
  Al  Al25  1  0.96573928  0.96574182  0.96574038  1.0
  O  O26  1  0.49999856  -0.00000350  0.86802184  1.0
  O  O27  1  0.86801735  0.49999871  0.00000062  1.0
  O  O28  1  -0.00000573  0.86801530  0.50000033  1.0
  O  O29  1  0.63197397  0.63197183  0.63197849  1.0
  O  O30  1  0.36801715  0.49999353  -0.00000101  1.0
  O  O31  1  0.49999193  -0.00000174  0.36802303  1.0
  O  O32  1  0.99999646  0.36802062  0.49999976  1.0
  O  O33  1  0.13196807  0.13197562  0.13197986  1.0
  O  O34  1  0.40920314  0.09454120  0.61451666  1.0
  O  O35  1  0.51997427  0.40545202  0.81465714  1.0
  O  O36  1  0.09079831  0.70531090  0.68535617  1.0
  O  O37  1  0.98002910  0.79468329  0.88548755  1.0
  O  O38  1  0.11451753  0.59453128  0.90920065  1.0
  O  O39  1  0.31464187  0.90543739  0.01996212  1.0
  O  O40  1  0.18535619  0.20531564  0.59080274  1.0
  O  O41  1  0.38548096  0.29468224  0.48003399  1.0
  O  O42  1  0.61451719  0.40919770  0.09453645  1.0
  O  O43  1  0.81465646  0.51998004  0.40545262  1.0
  O  O44  1  0.68534847  0.09079641  0.70530680  1.0
  O  O45  1  0.88548880  0.98003981  0.79469152  1.0
  O  O46  1  0.90919884  0.11452010  0.59454110  1.0
  O  O47  1  0.01997428  0.31465030  0.90544920  1.0
  O  O48  1  0.59079904  0.18535703  0.20531132  1.0
  O  O49  1  0.48003970  0.38548678  0.29468794  1.0
  O  O50  1  0.09453570  0.61451128  0.40919832  1.0
  O  O51  1  0.40543493  0.81463746  0.51995253  1.0
  O  O52  1  0.70531494  0.68536821  0.09080421  1.0
  O  O53  1  0.79468983  0.88548657  0.98003266  1.0
  O  O54  1  0.59454094  0.90920510  0.11451811  1.0
  O  O55  1  0.90545481  0.01998086  0.31466084  1.0
  O  O56  1  0.20531620  0.59079738  0.18534862  1.0
  O  O57  1  0.29468111  0.48002054  0.38548066  1.0