data_[Y16Nb8Tl12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Nb  1.6000  1.4500  0.8200
  Tl  1.6200  1.9000  1.3325
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.4546]
_cell_length_b [6.0704]
_cell_length_c [15.7532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6346]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y4Nb2(TlC)3]
_chemical_formula_sum '[Y16 Nb8 Tl12 C12]'
_cell_volume [971.5863]
_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
[
  Y  Y0  8  0.1157  0.0723  0.5912  1
  Y  Y1  8  0.2124  0.0894  0.9088  1
  Nb  Nb2  8  0.0647  0.5886  0.9314  1
  Tl  Tl3  8  0.1461  0.4345  0.7461  1
  Tl  Tl4  4  0.0000  0.1266  0.2500  1
  C  C5  8  0.0739  0.2781  1.0000  1
  C  C6  4  0.2500  0.2500  0.5000  1
]