data_[Ca2Pr2Cd8]
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
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.0453]
_cell_length_b [7.5448]
_cell_length_c [8.4915]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [CaPrCd4]
_chemical_formula_sum '[Ca2 Pr2 Cd8]'
_cell_volume [323.2334]
_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  0.0245  1.0
  Pr  Pr1  2  0.0000  0.5000  0.9780  1.0
  Cd  Cd2  4  0.0000  0.2129  0.6707  1.0
  Cd  Cd3  4  0.0000  0.2724  0.3361  1.0
]