data_[Ba4Pr8Cu4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pr  1.1300  1.8500  1.0600
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.8424]
_cell_length_b [6.8424]
_cell_length_c [11.7665]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [BaPr2CuO5]
_chemical_formula_sum '[Ba4 Pr8 Cu4 O20]'
_cell_volume [550.8848]
_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
[
  Ba  Ba0  4  0.0000  0.0000  0.2500  1.0
  Pr  Pr1  8  0.1725  0.6725  0.5000  1.0
  Cu  Cu2  4  0.0000  0.5000  0.2500  1.0
  O  O3  16  0.1413  0.3587  0.6292  1.0
  O  O4  4  0.0000  0.0000  0.0000  1.0
]