data_[Sr4Lu2Ir2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Lu  1.2700  1.7500  1.0010
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.7786]
_cell_length_b [5.7946]
_cell_length_c [10.0068]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0671]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr2LuIrO6]
_chemical_formula_sum '[Sr4 Lu2 Ir2 O12]'
_cell_volume [274.2507]
_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
[
  Sr  Sr0  4  0.2550  0.5264  0.7503  1.0
  Lu  Lu1  2  0.0000  0.0000  0.5000  1.0
  Ir  Ir2  2  0.5000  0.0000  0.0000  1.0
  O  O3  4  0.2006  0.5126  0.2610  1.0
  O  O4  4  0.2605  0.2078  0.0309  1.0
  O  O5  4  0.3270  0.7290  0.0333  1.0
]