data_[Ca4Pr48Dy8]
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 [Cmme]
_cell_length_a [7.2493]
_cell_length_b [11.7948]
_cell_length_c [25.6588]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [67]
_chemical_formula_structural [Ca(Pr6Dy)2]
_chemical_formula_sum '[Ca4 Pr48 Dy8]'
_cell_volume [2193.9280]
_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
[
  Ca  Ca0  4  0.0000  0.2500  0.0005  1
  Pr  Pr1  8  0.0000  0.0013  0.9187  1
  Pr  Pr2  8  0.0000  0.0246  0.4408  1
  Pr  Pr3  8  0.2299  0.2500  0.5835  1
  Pr  Pr4  8  0.2484  0.2500  0.1384  1
  Pr  Pr5  8  0.2500  0.0000  0.2031  1
  Pr  Pr6  8  0.2500  0.0000  0.3274  1
  Dy  Dy7  4  0.0000  0.2500  0.2747  1
  Dy  Dy8  4  0.0000  0.2500  0.7290  1
]