data_[Ce6Dy2Tl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Dy  1.2200  1.7500  1.1310
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [9.5290]
_cell_length_b [9.5290]
_cell_length_c [5.0915]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [176]
_chemical_formula_structural [Ce3DyTl3]
_chemical_formula_sum '[Ce6 Dy2 Tl6]'
_cell_volume [400.3787]
_cell_formula_units_Z [2]
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
[
  Ce  Ce0  6  0.0048  0.7795  0.7500  1
  Dy  Dy1  2  0.3333  0.6667  0.7500  1
  Tl  Tl2  6  0.0757  0.6152  0.2500  1
]