data_[Dy4Re12O64]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Re  1.9000  1.3500  0.7125
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [14.6784]
_cell_length_b [8.6158]
_cell_length_c [11.4410]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [DyRe3O16]
_chemical_formula_sum '[Dy4 Re12 O64]'
_cell_volume [1446.9089]
_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
[
  Dy  Dy0  4  0.1723  0.7316  0.2434  1
  Re  Re1  4  0.0823  0.1879  0.6020  1
  Re  Re2  4  0.1705  0.4026  0.9989  1
  Re  Re3  4  0.1829  0.8992  0.9116  1
  O  O4  4  0.0268  0.7540  0.1562  1
  O  O5  4  0.0743  0.4724  0.9292  1
  O  O6  4  0.0745  0.9665  0.8811  1
  O  O7  4  0.0769  0.4867  0.2706  1
  O  O8  4  0.0778  0.7418  0.4157  1
  O  O9  4  0.0861  0.9889  0.5806  1
  O  O10  4  0.0873  0.5894  0.6565  1
  O  O11  4  0.1066  0.2802  0.4707  1
  O  O12  4  0.1206  0.9982  0.2618  1
  O  O13  4  0.1441  0.2285  0.0655  1
  O  O14  4  0.1679  0.2430  0.7029  1
  O  O15  4  0.1903  0.8589  0.0638  1
  O  O16  4  0.1988  0.7281  0.8337  1
  O  O17  4  0.2026  0.5371  0.1100  1
  O  O18  4  0.2367  0.5425  0.3673  1
  O  O19  4  0.2396  0.8719  0.3966  1
]