data_[Ca1Pr6Dy8]
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 [P-3]
_cell_length_a [9.9663]
_cell_length_b [9.9663]
_cell_length_c [6.2493]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Ca(Pr3Dy4)2]
_chemical_formula_sum '[Ca1 Pr6 Dy8]'
_cell_volume [537.5614]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Pr  Pr1  6  0.1324  0.6901  0.4414  1
  Dy  Dy2  6  0.0203  0.3385  0.0668  1
  Dy  Dy3  2  0.3333  0.6667  0.9189  1
]