data_[Tb6Dy2Sc8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Dy  1.2200  1.7500  1.1310
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [10.8035]
_cell_length_b [6.9739]
_cell_length_c [6.0166]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Tb3DySc4]
_chemical_formula_sum '[Tb6 Dy2 Sc8]'
_cell_volume [453.3063]
_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  0.2499  0.3655  0.4868  1.0
  Tb  Tb1  2  0.0000  0.6346  0.6421  1.0
  Dy  Dy2  2  0.0000  0.3652  0.1419  1.0
  Sc  Sc3  4  0.2497  0.1159  0.9777  1.0
  Sc  Sc4  2  0.0000  0.1160  0.6512  1.0
  Sc  Sc5  2  0.0000  0.8841  0.1511  1.0
]