data_[Zr15Tl6Cd18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.6505]
_cell_length_b [8.6505]
_cell_length_c [19.2776]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Zr5(TlCd3)2]
_chemical_formula_sum '[Zr15 Tl6 Cd18]'
_cell_volume [1249.2916]
_cell_formula_units_Z [3]
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
[
  Zr  Zr0  6  0.0000  0.0000  0.2933  1
  Zr  Zr1  6  0.0000  0.0000  0.4320  1
  Zr  Zr2  3  0.0000  0.0000  0.0000  1
  Tl  Tl3  6  0.0000  0.0000  0.1438  1
  Cd  Cd4  18  0.0000  0.3286  0.5000  1
]