data_[Er2Ir2Pb4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ir  2.2000  1.3500  0.7650
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8405]
_cell_length_b [5.8496]
_cell_length_c [10.0855]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1263]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [ErIr(PbO3)2]
_chemical_formula_sum '[Er2 Ir2 Pb4 O12]'
_cell_volume [281.8163]
_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
[
  Er  Er0  2  0.5000  0.0000  0.0000  1.0
  Ir  Ir1  2  0.0000  0.0000  0.5000  1.0
  Pb  Pb2  4  0.2392  0.5271  0.7478  1.0
  O  O3  4  0.1596  0.7293  0.4606  1.0
  O  O4  4  0.2244  0.2046  0.4581  1.0
  O  O5  4  0.3099  0.5151  0.2347  1.0
]