data_[Ca4In2Ir2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  In  1.7800  1.5500  0.9400
  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 [5.5270]
_cell_length_b [5.7675]
_cell_length_c [9.6456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5787]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca2InIrO6]
_chemical_formula_sum '[Ca4 In2 Ir2 O12]'
_cell_volume [253.1533]
_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  0.2346  0.0598  0.2511  1.0
  In  In1  2  0.5000  0.0000  0.0000  1.0
  Ir  Ir2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1183  0.2109  0.9370  1.0
  O  O4  4  0.2382  0.6866  0.9458  1.0
  O  O5  4  0.3488  0.0458  0.7371  1.0
]