data_[Hf8Zr16Tl12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zr  1.3300  1.5500  0.8600
  Tl  1.6200  1.9000  1.3325
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.1258]
_cell_length_b [5.8467]
_cell_length_c [15.3999]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6887]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf2Zr4(TlC)3]
_chemical_formula_sum '[Hf8 Zr16 Tl12 C12]'
_cell_volume [889.4466]
_cell_formula_units_Z [4]
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
[
  Hf  Hf0  8  0.0574  0.4160  0.4203  1
  Zr  Zr1  8  0.1109  0.0819  0.5823  1
  Zr  Zr2  8  0.2217  0.0841  0.9177  1
  Tl  Tl3  8  0.1645  0.4188  0.7499  1
  Tl  Tl4  4  0.0000  0.0876  0.2500  1
  C  C5  8  0.0820  0.7459  0.5000  1
  C  C6  4  0.2500  0.2500  0.5000  1
]