data_[Yb2Al6C6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Al  1.6100  1.2500  0.6750
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [3.4273]
_cell_length_b [3.4273]
_cell_length_c [17.4835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Yb(AlC)3]
_chemical_formula_sum '[Yb2 Al6 C6]'
_cell_volume [177.8567]
_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
[
  Yb  Yb0  2  0.0000  0.0000  0.0010  1.0
  Al  Al1  2  0.3333  0.6667  0.2551  1.0
  Al  Al2  2  0.3333  0.6667  0.6350  1.0
  Al  Al3  2  0.3333  0.6667  0.8680  1.0
  C  C4  2  0.3333  0.6667  0.0985  1.0
  C  C5  2  0.3333  0.6667  0.4004  1.0
  C  C6  2  0.3333  0.6667  0.7510  1.0
]