data_[Tb8Y6Sc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Y  1.2200  1.8000  1.0400
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.1953]
_cell_length_b [7.2130]
_cell_length_c [6.2398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Tb4Y3Sc]
_chemical_formula_sum '[Tb8 Y6 Sc2]'
_cell_volume [503.8762]
_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  0.2448  0.1272  0.9830  1
  Tb  Tb1  2  0.0000  0.1263  0.6456  1
  Tb  Tb2  2  0.0000  0.8748  0.1540  1
  Y  Y3  4  0.2489  0.6233  0.9795  1
  Y  Y4  2  0.0000  0.6240  0.6454  1
  Sc  Sc5  2  0.0000  0.3763  0.1454  1
]