data_[Pr3Tm12Cd1]
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 [P4/mmm]
_cell_length_a [4.9549]
_cell_length_b [4.9549]
_cell_length_c [19.8952]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Pr3Tm12Cd]
_chemical_formula_sum '[Pr3 Tm12 Cd1]'
_cell_volume [488.4534]
_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
[
  Pr  Pr0  2  0.0000  0.0000  0.2474  1
  Pr  Pr1  1  0.0000  0.0000  0.5000  1
  Tm  Tm2  4  0.0000  0.5000  0.1190  1
  Tm  Tm3  4  0.0000  0.5000  0.3726  1
  Tm  Tm4  2  0.5000  0.5000  0.2423  1
  Tm  Tm5  1  0.5000  0.5000  0.0000  1
  Tm  Tm6  1  0.5000  0.5000  0.5000  1
  Cd  Cd7  1  0.0000  0.0000  0.0000  1
]