data_[Hf2Ti2Tl2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ti  1.5400  1.4000  0.8517
  Tl  1.6200  1.9000  1.3325
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [3.2635]
_cell_length_b [3.2635]
_cell_length_c [14.5514]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [HfTiTlC]
_chemical_formula_sum '[Hf2 Ti2 Tl2 C2]'
_cell_volume [134.2145]
_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
[
  Hf  Hf0  2  0.3333  0.6667  0.0791  1
  Ti  Ti1  2  0.3333  0.6667  0.4211  1
  Tl  Tl2  2  0.3333  0.6667  0.7555  1
  C  C3  2  0.0000  0.0000  0.4944  1
]