data_[Pr12Si8O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.1403]
_cell_length_b [5.9763]
_cell_length_c [7.8411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2226]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr3Si2O]
_chemical_formula_sum '[Pr12 Si8 O4]'
_cell_volume [588.1482]
_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  0.1450  0.0038  0.0742  1
  Pr  Pr1  4  0.0000  0.4533  0.7500  1
  Si  Si2  8  0.1731  0.4939  0.5854  1
  O  O3  4  0.0000  0.0510  0.7500  1
]