data_[Dy3Pa6O21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Pa  1.5000  1.8000  1.0400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.8796]
_cell_length_b [3.8796]
_cell_length_c [31.3481]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [DyPa2O7]
_chemical_formula_sum '[Dy3 Pa6 O21]'
_cell_volume [408.6227]
_cell_formula_units_Z [3]
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
[
  Dy  Dy0  3  -0.0000  -0.0000  0.5000  1
  Pa  Pa1  6  0.0000  0.0000  0.0692  1
  O  O2  6  0.0000  0.0000  0.1393  1
  O  O3  6  0.0000  0.0000  0.2812  1
  O  O4  6  0.0000  0.0000  0.4246  1
  O  O5  3  0.0000  0.0000  0.0000  1
]