data_[K4Sr4Ir4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sr  0.9500  2.0000  1.3200
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7174]
_cell_length_b [3.8419]
_cell_length_c [7.9415]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2110]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KSrIrO3]
_chemical_formula_sum '[K4 Sr4 Ir4 O12]'
_cell_volume [401.8855]
_cell_formula_units_Z [4]
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
[
  K  K0  4  0.1459  0.5000  0.0663  1
  Sr  Sr1  4  0.1564  0.5000  0.5830  1
  Ir  Ir2  4  0.0044  0.0000  0.2773  1
  O  O3  4  0.0048  0.5000  0.2796  1
  O  O4  4  0.1466  0.0000  0.7932  1
  O  O5  4  0.1569  0.0000  0.3596  1
]