data_[Dy6Sc1Tl1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Sc  1.3600  1.6000  0.8850
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [6.5602]
_cell_length_b [6.5602]
_cell_length_c [6.4006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [162]
_chemical_formula_structural [Dy6ScTl]
_chemical_formula_sum '[Dy6 Sc1 Tl1]'
_cell_volume [238.5551]
_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  6  0.0000  0.4288  0.7472  1
  Sc  Sc1  1  0.0000  0.0000  0.5000  1
  Tl  Tl2  1  0.0000  0.0000  0.0000  1
]