data_[Er8Cu8O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [10.7291]
_cell_length_b [3.4446]
_cell_length_c [12.3750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [Er2Cu2O5]
_chemical_formula_sum '[Er8 Cu8 O20]'
_cell_volume [457.3497]
_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
[
  Er  Er0  4  0.0428  0.2786  0.3290  1
  Er  Er1  4  0.2076  0.2800  0.9992  1
  Cu  Cu2  4  0.0107  0.1581  0.6125  1
  Cu  Cu3  4  0.2388  0.3409  0.7152  1
  O  O4  4  0.0725  0.2208  0.7629  1
  O  O5  4  0.0760  0.7749  0.9730  1
  O  O6  4  0.1252  0.1747  0.1640  1
  O  O7  4  0.1745  0.7760  0.3545  1
  O  O8  4  0.1767  0.2827  0.5646  1
]