data_[Na1Dy1Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Dy  1.2200  1.7500  1.1310
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.6607]
_cell_length_b [5.1812]
_cell_length_c [9.0952]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.6151]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [NaDyTl4]
_chemical_formula_sum '[Na1 Dy1 Tl4]'
_cell_volume [172.4411]
_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
[
  Na  Na0  1  0.4972  0.0000  0.9941  1.0
  Dy  Dy1  1  0.5042  0.5000  0.5116  1.0
  Tl  Tl2  1  0.1228  0.0000  0.6602  1.0
  Tl  Tl3  1  0.1338  0.5000  0.1749  1.0
  Tl  Tl4  1  0.8232  0.0000  0.3313  1.0
  Tl  Tl5  1  0.8999  0.5000  0.8392  1.0
]