data_[Ca4La2Ir2O12]
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 [5.6915]
_cell_length_b [5.9687]
_cell_length_c [9.9651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1479]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca2LaIrO6]
_chemical_formula_sum '[Ca4 La2 Ir2 O12]'
_cell_volume [280.1585]
_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  4  0.2372  0.5547  0.7560  1
  La  La1  2  0.5000  0.0000  0.0000  1
  Ir  Ir2  2  0.0000  0.0000  0.5000  1
  O  O3  4  0.0921  0.7243  0.4238  1
  O  O4  4  0.2279  0.1790  0.4439  1
  O  O5  4  0.3462  0.5625  0.2231  1
]