data_[Pr12V4O24]
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 [Cmc2_1]
_cell_length_a [9.3666]
_cell_length_b [11.7365]
_cell_length_c [5.7454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr3VO6]
_chemical_formula_sum '[Pr12 V4 O24]'
_cell_volume [631.6034]
_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  0.1940  0.1065  0.4740  1
  Pr  Pr1  4  0.0000  0.3964  0.4311  1
  V  V2  4  0.0000  0.1920  0.0065  1
  O  O3  8  0.1547  0.2614  0.1814  1
  O  O4  8  0.1595  0.4868  0.7044  1
  O  O5  4  0.0000  0.0425  0.1557  1
  O  O6  4  0.0000  0.2151  0.6723  1
]