data_[La8Cu8O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [16.1691]
_cell_length_b [5.5471]
_cell_length_c [5.3662]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [La2Cu2O5]
_chemical_formula_sum '[La8 Cu8 O20]'
_cell_volume [481.3035]
_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
[
  La  La0  8  0.1140  0.0106  0.4933  1.0
  Cu  Cu1  4  0.0000  0.0000  0.9903  1.0
  Cu  Cu2  4  0.2500  0.5329  0.5194  1.0
  O  O3  8  0.0122  0.7463  0.7434  1.0
  O  O4  8  0.1370  0.0596  0.9723  1.0
  O  O5  4  0.2500  0.5993  0.9083  1.0
]