data_[Pr12Cu4O24]
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 [Cmc2_1]
_cell_length_a [9.3187]
_cell_length_b [11.6647]
_cell_length_c [5.7284]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr3CuO6]
_chemical_formula_sum '[Pr12 Cu4 O24]'
_cell_volume [622.6808]
_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
[
  Pr  Pr0  8  0.1933  0.1067  0.9724  1.0
  Pr  Pr1  4  0.0000  0.3957  0.9292  1.0
  Cu  Cu2  4  0.0000  0.1883  0.4997  1.0
  O  O3  8  0.1527  0.2583  0.6787  1.0
  O  O4  8  0.1591  0.4876  0.2040  1.0
  O  O5  4  0.0000  0.0436  0.6736  1.0
  O  O6  4  0.0000  0.2146  0.1725  1.0
]