# generated using pymatgen
data_Ba2LuIrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.90118300
_cell_length_b   5.90118300
_cell_length_c   8.35592700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2LuIrO6
_chemical_formula_sum   'Ba4 Lu2 Ir2 O12'
_cell_volume   290.98647429
_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  0.50000000  0.75000000  1.0
  Ba  Ba1  1  0.50000000  0.00000000  0.25000000  1.0
  Ba  Ba2  1  0.00000000  0.50000000  0.25000000  1.0
  Ba  Ba3  1  0.50000000  0.00000000  0.75000000  1.0
  Lu  Lu4  1  0.50000000  0.50000000  0.00000000  1.0
  Lu  Lu5  1  0.00000000  0.00000000  0.50000000  1.0
  Ir  Ir6  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir7  1  0.50000000  0.50000000  0.50000000  1.0
  O  O8  1  0.24729600  0.23006900  0.00000000  1.0
  O  O9  1  0.74729600  0.26993100  0.50000000  1.0
  O  O10  1  0.75270400  0.76993100  0.00000000  1.0
  O  O11  1  0.25270400  0.73006900  0.50000000  1.0
  O  O12  1  0.23006900  0.75270400  0.00000000  1.0
  O  O13  1  0.73006900  0.74729600  0.50000000  1.0
  O  O14  1  0.76993100  0.24729600  0.00000000  1.0
  O  O15  1  0.26993100  0.25270400  0.50000000  1.0
  O  O16  1  0.00000000  0.00000000  0.76121800  1.0
  O  O17  1  0.50000000  0.50000000  0.26121800  1.0
  O  O18  1  0.00000000  0.00000000  0.23878200  1.0
  O  O19  1  0.50000000  0.50000000  0.73878200  1.0