data_[Tb12Pm8Y38]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pm  1.1300  1.8500  1.1100
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [I23]
_cell_length_a [12.5117]
_cell_length_b [12.5117]
_cell_length_c [12.5117]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [197]
_chemical_formula_structural [Tb6Pm4Y19]
_chemical_formula_sum '[Tb12 Pm8 Y38]'
_cell_volume [1958.6127]
_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
[
  Tb  Tb0  12  0.0000  0.1233  0.5000  1
  Pm  Pm1  8  0.1802  0.1802  0.1802  1
  Y  Y2  24  0.0611  0.2798  0.7348  1
  Y  Y3  12  0.0000  0.0000  0.2598  1
  Y  Y4  2  0.0000  0.0000  0.0000  1
]