data_[Tb12Pm8Er38]
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
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [I23]
_cell_length_a [12.3913]
_cell_length_b [12.3913]
_cell_length_c [12.3913]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [197]
_chemical_formula_structural [Tb6Pm4Er19]
_chemical_formula_sum '[Tb12 Pm8 Er38]'
_cell_volume [1902.6350]
_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  0.1263  0.5000  1
  Pm  Pm1  8  0.1797  0.1797  0.1797  1
  Er  Er2  24  0.0624  0.2773  0.7377  1
  Er  Er3  12  0.0000  0.0000  0.2602  1
  Er  Er4  2  0.0000  0.0000  0.0000  1
]