data_[Pr12Si4O2]
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 [P2_1/c]
_cell_length_a [6.5237]
_cell_length_b [7.9427]
_cell_length_c [11.3588]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.1712]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr6Si2O]
_chemical_formula_sum '[Pr12 Si4 O2]'
_cell_volume [492.6590]
_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  0.1106  0.1637  0.4466  1.0
  Pr  Pr1  4  0.3023  0.7076  0.4420  1.0
  Pr  Pr2  4  0.3691  0.0354  0.2436  1.0
  Si  Si3  4  0.1965  0.1129  0.7560  1.0
  O  O4  2  0.5000  0.0000  0.5000  1.0
]