data_[Ca4Tb2Ir2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tb  1.1000  1.7500  0.9815
  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 [5.6199]
_cell_length_b [5.8352]
_cell_length_c [9.7851]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3456]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca2TbIrO6]
_chemical_formula_sum '[Ca4 Tb2 Ir2 O12]'
_cell_volume [264.9379]
_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  0.2335  0.5565  0.7506  1
  Tb  Tb1  2  0.5000  0.0000  0.0000  1
  Ir  Ir2  2  0.0000  0.0000  0.5000  1
  O  O3  4  0.1170  0.7167  0.4379  1
  O  O4  4  0.2299  0.1869  0.4441  1
  O  O5  4  0.3432  0.5444  0.2321  1
]