data_[Pr8Cu2O14]
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 [13.2304]
_cell_length_b [4.0440]
_cell_length_c [9.2197]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.0461]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr4CuO7]
_chemical_formula_sum '[Pr8 Cu2 O14]'
_cell_volume [360.4986]
_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  4  0.0841  0.5000  0.3881  1.0
  Pr  Pr1  4  0.2444  0.5000  0.1531  1.0
  Cu  Cu2  2  0.0000  0.0000  0.0000  1.0
  O  O3  4  0.0860  0.0000  0.8954  1.0
  O  O4  4  0.1332  0.5000  0.6989  1.0
  O  O5  4  0.2035  0.0000  0.5540  1.0
  O  O6  2  0.0000  0.5000  0.0000  1.0
]