data_[Ca4Pm12Cd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pm  1.1300  1.8500  1.1100
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [10.7078]
_cell_length_b [11.0208]
_cell_length_c [7.2689]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ca(PmCd)3]
_chemical_formula_sum '[Ca4 Pm12 Cd12]'
_cell_volume [857.7878]
_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  0.2141  0.5000  0.0000  1
  Pm  Pm1  4  0.0000  0.2243  0.0000  1
  Pm  Pm2  4  0.0000  0.2764  0.5000  1
  Pm  Pm3  4  0.2430  0.5000  0.5000  1
  Cd  Cd4  8  0.2500  0.2500  0.2519  1
  Cd  Cd5  4  0.0000  0.0000  0.2761  1
]