data_[Ce2Dy2Tl2]
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 [P3m1]
_cell_length_a [5.4453]
_cell_length_b [5.4453]
_cell_length_c [6.7661]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [CeDyTl]
_chemical_formula_sum '[Ce2 Dy2 Tl2]'
_cell_volume [173.7430]
_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  1  0.0000  0.0000  0.7245  1.0
  Ce  Ce1  1  0.3333  0.6667  0.9538  1.0
  Dy  Dy2  1  0.0000  0.0000  0.2313  1.0
  Dy  Dy3  1  0.6667  0.3333  0.4843  1.0
  Tl  Tl4  1  0.3333  0.6667  0.4565  1.0
  Tl  Tl5  1  0.6667  0.3333  0.9915  1.0
]