data_[Ca4Dy2Ir2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Dy  1.2200  1.7500  1.1310
  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 [5.6097]
_cell_length_b [5.8209]
_cell_length_c [9.7684]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3761]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca2DyIrO6]
_chemical_formula_sum '[Ca4 Dy2 Ir2 O12]'
_cell_volume [263.2615]
_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  0.2337  0.0563  0.2505  1.0
  Dy  Dy1  2  0.5000  0.0000  0.0000  1.0
  Ir  Ir2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1194  0.2161  0.9391  1.0
  O  O4  4  0.2312  0.6877  0.9448  1.0
  O  O5  4  0.3426  0.0430  0.7331  1.0
]