data_[Yb2H6C2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [5.2103]
_cell_length_b [5.2103]
_cell_length_c [6.5598]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [176]
_chemical_formula_structural [YbH3CN3]
_chemical_formula_sum '[Yb2 H6 C2 N6]'
_cell_volume [154.2228]
_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  0.0000  1.0
  H  H1  6  0.0914  0.5283  0.2500  1.0
  C  C2  2  0.3333  0.6667  0.7500  1.0
  N  N3  6  0.0811  0.6848  0.7500  1.0
]