data_[Tb6Y2Sc8]
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 [10.8172]
_cell_length_b [6.9891]
_cell_length_c [6.0284]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Tb3YSc4]
_chemical_formula_sum '[Tb6 Y2 Sc8]'
_cell_volume [455.7597]
_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  0.2494  0.3652  0.4877  1.0
  Tb  Tb1  2  0.0000  0.6352  0.6431  1.0
  Y  Y2  2  0.0000  0.3653  0.1413  1.0
  Sc  Sc3  4  0.2499  0.8847  0.4771  1.0
  Sc  Sc4  2  0.0000  0.1152  0.6507  1.0
  Sc  Sc5  2  0.0000  0.8834  0.1506  1.0
]