data_[Dy1Tm6Sc6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [6.3486]
_cell_length_b [6.3486]
_cell_length_c [10.8094]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [Dy(TmSc)6]
_chemical_formula_sum '[Dy1 Tm6 Sc6]'
_cell_volume [377.2959]
_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
[
  Dy  Dy0  1  0.0000  0.0000  0.0000  1
  Tm  Tm1  2  0.0000  0.0000  0.3402  1
  Tm  Tm2  2  0.3333  0.6667  0.0000  1
  Tm  Tm3  2  0.3333  0.6667  0.5000  1
  Sc  Sc4  6  0.0000  0.5000  0.2405  1
]