data_[Ca2Pr4Ir2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pr  1.1300  1.8500  1.0600
  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 [5.6525]
_cell_length_b [6.0032]
_cell_length_c [9.8557]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1097]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CaPr2IrO6]
_chemical_formula_sum '[Ca2 Pr4 Ir2 O12]'
_cell_volume [276.8987]
_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
  Pr  Pr1  4  0.2283  0.0656  0.2508  1.0
  Ir  Ir2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1103  0.2129  0.9346  1.0
  O  O4  4  0.2348  0.6866  0.9427  1.0
  O  O5  4  0.3520  0.0474  0.7320  1.0
]