data_[Tb6Pm4Nd12]
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
  Nd  1.1400  1.8500  1.2765
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.8015]
_cell_length_b [4.8015]
_cell_length_c [34.2356]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Tb3(PmNd3)2]
_chemical_formula_sum '[Tb6 Pm4 Nd12]'
_cell_volume [789.2842]
_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  4  0.0000  0.0000  0.1960  1
  Tb  Tb1  2  0.0000  0.0000  0.0000  1
  Pm  Pm2  4  0.0000  0.0000  0.4550  1
  Nd  Nd3  8  0.0000  0.5000  0.1212  1
  Nd  Nd4  4  0.0000  0.0000  0.2961  1
]