data_[Dy1Ti3Tl2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Ti  1.5400  1.4000  0.8517
  Tl  1.6200  1.9000  1.3325
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.2577]
_cell_length_b [3.2577]
_cell_length_c [14.8347]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [DyTi3(TlC)2]
_chemical_formula_sum '[Dy1 Ti3 Tl2 C2]'
_cell_volume [136.3431]
_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  0.3333  0.6667  0.0801  1
  Ti  Ti1  1  0.3333  0.6667  0.4349  1
  Ti  Ti2  1  0.6667  0.3333  0.5798  1
  Ti  Ti3  1  0.6667  0.3333  0.9097  1
  Tl  Tl4  1  0.3333  0.6667  0.7437  1
  Tl  Tl5  1  0.6667  0.3333  0.2685  1
  C  C6  1  0.0000  0.0000  0.5071  1
  C  C7  1  0.0000  0.0000  0.9763  1
]