data_[Tb1Dy6Sc1]
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 [P-1]
_cell_length_a [6.4434]
_cell_length_b [6.6949]
_cell_length_c [6.7886]
_cell_angle_alpha [117.9627]
_cell_angle_beta [102.6069]
_cell_angle_gamma [91.8334]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TbDy6Sc]
_chemical_formula_sum '[Tb1 Dy6 Sc1]'
_cell_volume [249.3320]
_cell_formula_units_Z [1]
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  1  0.5000  0.0000  0.0000  1
  Dy  Dy1  2  0.2268  0.9032  0.4669  1
  Dy  Dy2  2  0.2471  0.4423  0.9946  1
  Dy  Dy3  2  0.2618  0.4157  0.5070  1
  Sc  Sc4  1  0.0000  0.0000  0.0000  1
]