data_[Pr4V12O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C222_1]
_cell_length_a [9.1095]
_cell_length_b [12.1589]
_cell_length_c [7.8259]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [20]
_chemical_formula_structural [PrV3O9]
_chemical_formula_sum '[Pr4 V12 O36]'
_cell_volume [866.8119]
_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  0.1086  0.5000  0.0000  1
  V  V1  8  0.0237  0.1798  0.5318  1
  V  V2  4  0.2487  0.0000  0.0000  1
  O  O3  8  0.0074  0.3166  0.5092  1
  O  O4  8  0.1329  0.1112  0.0636  1
  O  O5  8  0.1392  0.4818  0.3269  1
  O  O6  8  0.1863  0.1277  0.4662  1
  O  O7  4  0.0000  0.1421  0.7500  1
]