data_[Tl1Cr4Si1C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cr  1.6600  1.4000  0.9400
  Si  1.9000  1.1000  0.5400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [2.9689]
_cell_length_b [2.9689]
_cell_length_c [12.4172]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [TlCr4SiC2]
_chemical_formula_sum '[Tl1 Cr4 Si1 C2]'
_cell_volume [94.7834]
_cell_formula_units_Z [1]
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  1  0.6667  0.3333  0.5000  1
  Cr  Cr1  2  0.0000  0.0000  0.3086  1
  Cr  Cr2  2  0.6667  0.3333  0.1454  1
  Si  Si3  1  0.0000  0.0000  0.0000  1
  C  C4  2  0.3333  0.6667  0.2324  1
]