data_[Tb4Sm4Y20Sc8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.6276]
_cell_length_b [21.4235]
_cell_length_c [9.3995]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [TbSmY5Sc2]
_chemical_formula_sum '[Tb4 Sm4 Y20 Sc8]'
_cell_volume [1133.2362]
_cell_formula_units_Z [4]
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  0.4023  0.9182  1
  Sm  Sm1  4  0.0000  0.1844  0.5193  1
  Y  Y2  4  0.0000  0.0098  0.5152  1
  Y  Y3  4  0.0000  0.2645  0.8363  1
  Y  Y4  4  0.0000  0.3066  0.2159  1
  Y  Y5  4  0.0000  0.3887  0.5449  1
  Y  Y6  4  0.0000  0.4692  0.2478  1
  Sc  Sc7  4  0.0000  0.1130  0.8244  1
  Sc  Sc8  4  0.0000  0.1357  0.2021  1
]