data_[Fe2Cu2I2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Cu  1.9000  1.3500  0.8200
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [4.6815]
_cell_length_b [4.6815]
_cell_length_c [9.1647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [FeCuIO6]
_chemical_formula_sum '[Fe2 Cu2 I2 O12]'
_cell_volume [200.8537]
_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
[
  Fe  Fe0  2  0.0000  0.0000  0.6702  1.0
  Cu  Cu1  2  0.0000  0.0000  0.9980  1.0
  I  I2  2  0.0000  0.0000  0.3329  1.0
  O  O3  4  0.1891  0.8109  0.4929  1.0
  O  O4  4  0.1923  0.8077  0.1761  1.0
  O  O5  4  0.2077  0.7923  0.8304  1.0
]