data_[Tl4Bi4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.8481]
_cell_length_b [4.2736]
_cell_length_c [7.1072]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.8687]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TlBiC]
_chemical_formula_sum '[Tl4 Bi4 C4]'
_cell_volume [368.3368]
_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
[
  Tl  Tl0  2  0.0783  0.5000  0.8729  1
  Tl  Tl1  2  0.3689  0.5000  0.9413  1
  Bi  Bi2  2  0.0675  0.5000  0.3825  1
  Bi  Bi3  2  0.2376  0.0000  0.4624  1
  C  C4  2  0.2313  0.0000  0.1328  1
  C  C5  2  0.2580  0.0000  0.9853  1
]