# generated using pymatgen
data_Ba4NdIrO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.43508756
_cell_length_b   7.43508720
_cell_length_c   6.03071239
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   132.24032010
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4NdIrO8
_chemical_formula_sum   'Ba4 Nd1 Ir1 O8'
_cell_volume   246.81248391
_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  0.35643685  0.64356315  0.00000000  1.0
  Ba  Ba1  1  0.85296308  0.14703692  0.50000000  1.0
  Ba  Ba2  1  0.14703692  0.85296308  0.50000000  1.0
  Ba  Ba3  1  0.64356315  0.35643685  0.00000000  1.0
  Nd  Nd4  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir5  1  0.50000000  0.50000000  0.50000000  1.0
  O  O6  1  0.26422138  0.26422138  0.72605564  1.0
  O  O7  1  0.73577862  0.73577862  0.27394436  1.0
  O  O8  1  0.73577862  0.73577862  0.72605564  1.0
  O  O9  1  0.26422138  0.26422138  0.27394436  1.0
  O  O10  1  0.17140556  0.82859444  0.00000000  1.0
  O  O11  1  0.64848608  0.35151392  0.50000000  1.0
  O  O12  1  0.35151392  0.64848608  0.50000000  1.0
  O  O13  1  0.82859444  0.17140556  0.00000000  1.0