data_[Ca2La4Ir2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  La  1.1000  1.9500  1.1720
  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 [5.6995]
_cell_length_b [5.9985]
_cell_length_c [9.9331]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2560]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CaLa2IrO6]
_chemical_formula_sum '[Ca2 La4 Ir2 O12]'
_cell_volume [280.6875]
_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
[
  Ca  Ca0  2  0.5000  0.0000  0.0000  1.0
  La  La1  4  0.2319  0.0609  0.2511  1.0
  Ir  Ir2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1134  0.2143  0.9364  1.0
  O  O4  4  0.2353  0.6861  0.9445  1.0
  O  O5  4  0.3476  0.0453  0.7329  1.0
]