data_[Pr4Sc4Ge4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sc  1.3600  1.6000  0.8850
  Ge  2.0100  1.2500  0.7700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.9075]
_cell_length_b [9.3442]
_cell_length_c [7.2978]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9588]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PrScGeO5]
_chemical_formula_sum '[Pr4 Sc4 Ge4 O20]'
_cell_volume [436.8681]
_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  4  0.0000  0.3279  0.2500  1.0
  Sc  Sc1  4  0.0000  0.0000  0.0000  1.0
  Ge  Ge2  4  0.0000  0.3239  0.7500  1.0
  O  O3  8  0.1126  0.2149  0.6155  1.0
  O  O4  8  0.1744  0.4418  0.9274  1.0
  O  O5  4  0.0000  0.0860  0.2500  1.0
]