data_[Tl1Mo4Au1C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Mo  2.1600  1.4500  0.7750
  Au  2.5400  1.3500  1.0700
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.1438]
_cell_length_b [3.1438]
_cell_length_c [13.8325]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [TlMo4AuC2]
_chemical_formula_sum '[Tl1 Mo4 Au1 C2]'
_cell_volume [118.3941]
_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  0.3333  0.6667  0.5000  1
  Mo  Mo1  2  0.0000  0.0000  0.3237  1
  Mo  Mo2  2  0.3333  0.6667  0.1649  1
  Au  Au3  1  0.0000  0.0000  0.0000  1
  C  C4  2  0.6667  0.3333  0.2440  1
]