data_[Pr12Tm12Cd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Tm  1.2500  1.7500  1.0950
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.2648]
_cell_length_b [11.7412]
_cell_length_c [16.0954]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pr3Tm3Cd2]
_chemical_formula_sum '[Pr12 Tm12 Cd8]'
_cell_volume [994.9434]
_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
[
  Pr  Pr0  8  0.0000  0.0385  0.6059  1.0
  Pr  Pr1  4  0.0000  0.2689  0.7500  1.0
  Tm  Tm2  8  0.0000  0.3579  0.5371  1.0
  Tm  Tm3  4  0.0000  0.4510  0.2500  1.0
  Cd  Cd4  8  0.0000  0.2395  0.1296  1.0
]