data_[Pr4Ta4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ta  1.5000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9585]
_cell_length_b [14.9129]
_cell_length_c [5.6547]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [PrTaO4]
_chemical_formula_sum '[Pr4 Ta4 O16]'
_cell_volume [333.8133]
_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  0.1768  0.8376  1.0
  Ta  Ta1  4  0.0000  0.4151  0.7836  1.0
  O  O2  4  0.0000  0.0888  0.2451  1.0
  O  O3  4  0.0000  0.3003  0.5748  1.0
  O  O4  4  0.0000  0.3362  0.0521  1.0
  O  O5  4  0.0000  0.4702  0.4401  1.0
]