data_[Ca2Pr16Dy8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pr  1.1300  1.8500  1.0600
  Dy  1.2200  1.7500  1.1310
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6046]
_cell_length_b [5.2024]
_cell_length_c [15.1321]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.0578]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca(Pr2Dy)4]
_chemical_formula_sum '[Ca2 Pr16 Dy8]'
_cell_volume [911.2647]
_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
  Pr  Pr1  4  0.0403  0.5000  0.3860  1
  Pr  Pr2  4  0.0759  0.0000  0.7661  1
  Pr  Pr3  4  0.1939  0.5000  0.9199  1
  Pr  Pr4  4  0.2335  0.0000  0.3104  1
  Dy  Dy5  4  0.1209  0.5000  0.1592  1
  Dy  Dy6  4  0.1521  0.0000  0.5370  1
]