data_[Fe4Cu8O20]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1335]
_cell_length_b [6.3069]
_cell_length_c [7.5777]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.9011]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [FeCu2O5]
_chemical_formula_sum '[Fe4 Cu8 O20]'
_cell_volume [378.4034]
_cell_formula_units_Z [4]
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  4  0.0979  0.5000  0.3114  1
  Cu  Cu1  4  0.0506  0.0000  0.2237  1
  Cu  Cu2  4  0.2500  0.2500  0.0000  1
  O  O3  8  0.0347  0.2782  0.7618  1
  O  O4  4  0.1593  0.0000  0.0384  1
  O  O5  4  0.1963  0.5000  0.1779  1
  O  O6  4  0.2330  0.5000  0.5607  1
]