data_[Li2Tl2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [2.7464]
_cell_length_b [3.3777]
_cell_length_c [10.4502]
_cell_angle_alpha [98.1725]
_cell_angle_beta [90.0570]
_cell_angle_gamma [93.4901]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiTlC]
_chemical_formula_sum '[Li2 Tl2 C2]'
_cell_volume [95.7758]
_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
[
  Li  Li0  2  0.2558  0.5538  0.6217  1
  Tl  Tl1  2  0.2429  0.8255  0.1423  1
  C  C2  2  0.2496  0.9894  0.4760  1
]