data_[Ba2Dy8Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Dy  1.2200  1.7500  1.1310
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P4_2/n]
_cell_length_a [9.6642]
_cell_length_b [9.6642]
_cell_length_c [5.7341]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [86]
_chemical_formula_structural [Ba(DyGe)4]
_chemical_formula_sum '[Ba2 Dy8 Ge8]'
_cell_volume [535.5450]
_cell_formula_units_Z [2]
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
[
  Ba  Ba0  2  0.0000  0.0000  0.0000  1
  Dy  Dy1  8  0.1215  0.3671  0.6142  1
  Ge  Ge2  8  0.1758  0.6796  0.6013  1
]