data_[Dy1Sc4Tl5]
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 [P4/mmm]
_cell_length_a [3.5396]
_cell_length_b [3.5396]
_cell_length_c [19.3330]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [DySc4Tl5]
_chemical_formula_sum '[Dy1 Sc4 Tl5]'
_cell_volume [242.2205]
_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  1.0
  Sc  Sc1  2  0.0000  0.0000  0.2085  1.0
  Sc  Sc2  2  0.0000  0.0000  0.4031  1.0
  Tl  Tl3  2  0.5000  0.5000  0.1100  1.0
  Tl  Tl4  2  0.5000  0.5000  0.3060  1.0
  Tl  Tl5  1  0.5000  0.5000  0.5000  1.0
]