# generated using pymatgen
data_Ba7Ir6O19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.96243553
_cell_length_b   7.96243553
_cell_length_c   11.13283590
_cell_angle_alpha   81.32278309
_cell_angle_beta   81.32278309
_cell_angle_gamma   42.63281929
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba7Ir6O19
_chemical_formula_sum   'Ba7 Ir6 O19'
_cell_volume   471.74362416
_cell_formula_units_Z   1
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  0.50000000  0.50000000  0.50000000  1.0
  Ba  Ba1  1  0.85550565  0.85550565  0.94562377  1.0
  Ba  Ba2  1  0.14449435  0.14449435  0.05437623  1.0
  Ba  Ba3  1  0.57359363  0.57359363  0.83789462  1.0
  Ba  Ba4  1  0.42640637  0.42640637  0.16210538  1.0
  Ba  Ba5  1  0.80148018  0.80148018  0.59103962  1.0
  Ba  Ba6  1  0.19851982  0.19851982  0.40896038  1.0
  Ir  Ir7  1  0.18204881  0.18204881  0.73330218  1.0
  Ir  Ir8  1  0.81795119  0.81795119  0.26669782  1.0
  Ir  Ir9  1  0.34435774  0.34435774  0.78107266  1.0
  Ir  Ir10  1  0.65564226  0.65564226  0.21892734  1.0
  Ir  Ir11  1  0.02344886  0.02344886  0.67662096  1.0
  Ir  Ir12  1  0.97655114  0.97655114  0.32337904  1.0
  O  O13  1  0.00000000  -0.00000000  0.50000000  1.0
  O  O14  1  0.70178727  0.70178727  0.38744292  1.0
  O  O15  1  0.29821273  0.29821273  0.61255708  1.0
  O  O16  1  0.05582561  0.05582561  0.85014861  1.0
  O  O17  1  0.94417439  0.94417439  0.14985139  1.0
  O  O18  1  0.39479267  0.39479267  0.93672907  1.0
  O  O19  1  0.60520733  0.60520733  0.06327093  1.0
  O  O20  1  0.82438727  0.31959924  0.29109525  1.0
  O  O21  1  0.68040076  0.17561273  0.70890475  1.0
  O  O22  1  0.17561273  0.68040076  0.70890475  1.0
  O  O23  1  0.31959924  0.82438727  0.29109525  1.0
  O  O24  1  0.52778169  0.98786226  0.16426115  1.0
  O  O25  1  0.01213774  0.47221831  0.83573885  1.0
  O  O26  1  0.63999868  0.10928538  0.36944480  1.0
  O  O27  1  0.89071462  0.36000132  0.63055520  1.0
  O  O28  1  0.36000132  0.89071462  0.63055520  1.0
  O  O29  1  0.10928538  0.63999868  0.36944480  1.0
  O  O30  1  0.98786226  0.52778169  0.16426115  1.0
  O  O31  1  0.47221831  0.01213774  0.83573885  1.0