data_[Y2Tl2Cd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.1710]
_cell_length_b [5.1710]
_cell_length_c [6.6349]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [YTlCd]
_chemical_formula_sum '[Y2 Tl2 Cd2]'
_cell_volume [153.6437]
_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
[
  Y  Y0  1  0.3333  0.6667  0.3179  1
  Y  Y1  1  0.6667  0.3333  0.9379  1
  Tl  Tl2  1  0.0000  0.0000  0.1326  1
  Tl  Tl3  1  0.3333  0.6667  0.7959  1
  Cd  Cd4  1  0.0000  0.0000  0.6153  1
  Cd  Cd5  1  0.6667  0.3333  0.4516  1
]