# generated using pymatgen
data_Ba3YIr2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94110537
_cell_length_b   5.94110537
_cell_length_c   14.87244000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999303
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3YIr2O9
_chemical_formula_sum   'Ba6 Y2 Ir4 O18'
_cell_volume   454.61880735
_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
  Ba  Ba0  1  0.00000000  0.00000000  0.25564700  1.0
  Ba  Ba1  1  0.00000000  0.00000000  0.75564700  1.0
  Ba  Ba2  1  0.33333300  0.66666700  0.07353400  1.0
  Ba  Ba3  1  0.66666700  0.33333300  0.57353400  1.0
  Ba  Ba4  1  0.33333300  0.66666700  0.39969500  1.0
  Ba  Ba5  1  0.66666700  0.33333300  0.89969500  1.0
  Y  Y6  1  0.33333300  0.66666700  0.65147600  1.0
  Y  Y7  1  0.66666700  0.33333300  0.15147600  1.0
  Ir  Ir8  1  0.00000000  0.00000000  0.49620000  1.0
  Ir  Ir9  1  0.00000000  0.00000000  0.99620000  1.0
  Ir  Ir10  1  0.33333300  0.66666700  0.84521400  1.0
  Ir  Ir11  1  0.66666700  0.33333300  0.34521400  1.0
  O  O12  1  0.15394400  0.84605600  0.57511400  1.0
  O  O13  1  0.30788800  0.15394400  0.07511400  1.0
  O  O14  1  0.84605600  0.69211200  0.07511400  1.0
  O  O15  1  0.15394400  0.30788800  0.57511400  1.0
  O  O16  1  0.69211200  0.84605600  0.57511400  1.0
  O  O17  1  0.84605600  0.15394400  0.07511400  1.0
  O  O18  1  0.83411800  0.16588200  0.42072300  1.0
  O  O19  1  0.66823700  0.83411800  0.92072300  1.0
  O  O20  1  0.16588200  0.33176300  0.92072300  1.0
  O  O21  1  0.83411800  0.66823700  0.42072300  1.0
  O  O22  1  0.33176300  0.16588200  0.42072300  1.0
  O  O23  1  0.16588200  0.83411800  0.92072300  1.0
  O  O24  1  0.48796500  0.51203500  0.76357400  1.0
  O  O25  1  0.97593000  0.48796500  0.26357400  1.0
  O  O26  1  0.51203500  0.02407000  0.26357400  1.0
  O  O27  1  0.48796500  0.97593000  0.76357400  1.0
  O  O28  1  0.02407000  0.51203500  0.76357400  1.0
  O  O29  1  0.51203500  0.48796500  0.26357400  1.0