data_[Pr4Cu2Ge2O12]
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
  Ge  2.0100  1.2500  0.7700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.9818]
_cell_length_b [5.3748]
_cell_length_c [5.4535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.1083]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2CuGeO6]
_chemical_formula_sum '[Pr4 Cu2 Ge2 O12]'
_cell_volume [245.0740]
_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  0.2487  0.5000  0.2307  1.0
  Cu  Cu1  2  0.0000  0.0000  0.0000  1.0
  Ge  Ge2  2  0.0000  0.5000  0.5000  1.0
  O  O3  8  0.0558  0.2515  0.8011  1.0
  O  O4  4  0.2177  0.5000  0.6295  1.0
]