data_[Pr2Cu4O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [5.4130]
_cell_length_b [5.3802]
_cell_length_c [6.4093]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1533]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr(CuO2)2]
_chemical_formula_sum '[Pr2 Cu4 O8]'
_cell_volume [179.2907]
_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
[
  Pr  Pr0  2  0.0000  0.0000  0.0000  1
  Cu  Cu1  4  0.1107  0.5000  0.3175  1
  O  O2  8  0.1658  0.2523  0.7488  1
]