# generated using pymatgen
data_Ba3AlO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.56528774
_cell_length_b   8.25199242
_cell_length_c   7.30677798
_cell_angle_alpha   89.99999514
_cell_angle_beta   89.99999813
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3AlO4
_chemical_formula_sum   'Ba12 Al4 O16'
_cell_volume   637.03905870
_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
  Ba  Ba0  1  0.33619172  0.52641937  0.89746538  1.0
  Ba  Ba1  1  0.83619224  0.97358056  0.60253508  1.0
  Ba  Ba2  1  0.66380728  0.02641907  0.10253606  1.0
  Ba  Ba3  1  0.16380840  0.47358030  0.39746573  1.0
  Ba  Ba4  1  0.66380734  0.47358100  0.10253593  1.0
  Ba  Ba5  1  0.16380843  0.02641982  0.39746587  1.0
  Ba  Ba6  1  0.33619177  0.97358072  0.89746546  1.0
  Ba  Ba7  1  0.83619221  0.52641946  0.60253498  1.0
  Ba  Ba8  1  0.46378881  0.75000001  0.40407960  1.0
  Ba  Ba9  1  0.96378958  0.74999994  0.09591999  1.0
  Ba  Ba10  1  0.53621009  0.25000010  0.59592065  1.0
  Ba  Ba11  1  0.03621124  0.25000003  0.90408025  1.0
  Al  Al12  1  0.10441177  0.74999993  0.68789747  1.0
  Al  Al13  1  0.60441006  0.75000008  0.81209837  1.0
  Al  Al14  1  0.89558910  0.25000005  0.31209915  1.0
  Al  Al15  1  0.39558806  0.25000002  0.18790138  1.0
  O  O16  1  0.07232177  0.56722693  0.80309212  1.0
  O  O17  1  0.57231989  0.93277336  0.69690680  1.0
  O  O18  1  0.92767929  0.06722663  0.19690739  1.0
  O  O19  1  0.42767852  0.43277345  0.30309347  1.0
  O  O20  1  0.92767929  0.43277334  0.19690747  1.0
  O  O21  1  0.42767847  0.06722697  0.30309343  1.0
  O  O22  1  0.07232178  0.93277307  0.80309214  1.0
  O  O23  1  0.57231983  0.56722656  0.69690675  1.0
  O  O24  1  0.01306629  0.75000000  0.48271216  1.0
  O  O25  1  0.51306176  0.74999999  0.01728395  1.0
  O  O26  1  0.98693774  0.25000000  0.51728417  1.0
  O  O27  1  0.48693747  0.25000010  0.98271686  1.0
  O  O28  1  0.26746513  0.74999995  0.62807892  1.0
  O  O29  1  0.76746305  0.75000004  0.87192001  1.0
  O  O30  1  0.73253610  0.25000006  0.37192142  1.0
  O  O31  1  0.23253550  0.25000009  0.12807957  1.0