data_[Ce9Tl3Zn24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.5418]
_cell_length_b [5.5418]
_cell_length_c [27.0617]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ce3TlZn8]
_chemical_formula_sum '[Ce9 Tl3 Zn24]'
_cell_volume [719.7601]
_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
[
  Ce  Ce0  3  0.0000  0.0000  0.0002  1.0
  Ce  Ce1  3  0.0000  0.0000  0.4988  1.0
  Ce  Ce2  3  0.0000  0.0000  0.6250  1.0
  Tl  Tl3  3  0.0000  0.0000  0.1264  1.0
  Zn  Zn4  9  0.0020  0.5010  0.0609  1.0
  Zn  Zn5  9  0.0033  0.5016  0.5638  1.0
  Zn  Zn6  3  0.0000  0.0000  0.3113  1.0
  Zn  Zn7  3  0.0000  0.0000  0.8143  1.0
]