data_[Tb16Pm6Sc6]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3118]
_cell_length_b [12.8097]
_cell_length_c [6.3197]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.6383]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb8(PmSc)3]
_chemical_formula_sum '[Tb16 Pm6 Sc6]'
_cell_volume [890.8960]
_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  8  0.1201  0.2705  0.4741  1
  Tb  Tb1  8  0.1779  0.3686  0.0243  1
  Pm  Pm2  4  0.0000  0.1294  0.0000  1
  Pm  Pm3  2  0.0000  0.0000  0.5000  1
  Sc  Sc4  4  0.2355  0.0000  0.3897  1
  Sc  Sc5  2  0.0000  0.5000  0.5000  1
]