data_[Sr4Ta3Ir1O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ta  1.5000  1.4500  0.8200
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.6781]
_cell_length_b [5.6950]
_cell_length_c [7.9827]
_cell_angle_alpha [90.5111]
_cell_angle_beta [90.0136]
_cell_angle_gamma [90.0714]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sr4Ta3IrO12]
_chemical_formula_sum '[Sr4 Ta3 Ir1 O12]'
_cell_volume [258.1244]
_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
[
  Sr  Sr0  2  0.0034  0.0276  0.7571  1
  Sr  Sr1  2  0.4933  0.5188  0.7560  1
  Ta  Ta2  1  0.0000  0.5000  0.5000  1
  Ta  Ta3  1  0.5000  0.0000  0.0000  1
  Ta  Ta4  1  0.5000  0.0000  0.5000  1
  Ir  Ir5  1  0.0000  0.5000  0.0000  1
  O  O6  2  0.0678  0.5083  0.2580  1
  O  O7  2  0.2250  0.7887  0.9636  1
  O  O8  2  0.2332  0.7688  0.5329  1
  O  O9  2  0.2678  0.2660  0.5307  1
  O  O10  2  0.2914  0.2760  0.9695  1
  O  O11  2  0.4426  0.0024  0.2516  1
]