data_[Ca2Dy8Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Dy  1.2200  1.7500  1.1310
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P4_2/n]
_cell_length_a [9.1484]
_cell_length_b [9.1484]
_cell_length_c [5.6931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [86]
_chemical_formula_structural [Ca(DyPd)4]
_chemical_formula_sum '[Ca2 Dy8 Pd8]'
_cell_volume [476.4791]
_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
[
  Ca  Ca0  2  0.0000  0.0000  0.0000  1
  Dy  Dy1  8  0.0968  0.3293  0.5862  1
  Pd  Pd2  8  0.1293  0.2917  0.0871  1
]