data_YbH3CN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   6.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbH3CN3
_chemical_formula_sum   'Yb2 H6 C2 N6'
_cell_volume   154.22
_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  1  0.0  0.0  0.0  1.0
  Yb  Yb1  1  0.0  0.0  0.28  1.0
  H  H2  1  0.7  0.13  0.64  1.0
  H  H3  1  0.51  0.41  0.64  1.0
  H  H4  1  0.6  0.97  0.64  1.0
  H  H5  1  0.9  0.38  0.92  1.0
  H  H6  1  0.09  0.1  0.92  1.0
  H  H7  1  0.01  0.54  0.92  1.0
  C  C8  1  0.0  0.01  0.64  1.0
  C  C9  1  0.61  0.5  0.92  1.0
  N  N10  1  0.36  0.09  0.64  1.0
  N  N11  1  0.25  0.15  0.64  1.0
  N  N12  1  0.39  0.79  0.64  1.0
  N  N13  1  0.24  0.42  0.92  1.0
  N  N14  1  0.36  0.37  0.92  1.0
  N  N15  1  0.21  0.72  0.92  1.0

data_YbH3CN3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   6.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbH3CN3
_chemical_formula_sum   'Yb2 H6 C2 N6'
_cell_volume   154.22
_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  1  0.0  0.0  0.0  1.0
  Yb  Yb1  1  0.0  0.0  0.28  1.0
  H  H2  1  0.01  0.54  0.92  1.0
  H  H3  1  0.09  0.1  0.92  1.0
  H  H4  1  0.51  0.41  0.64  1.0
  H  H5  1  0.6  0.97  0.64  1.0
  H  H6  1  0.7  0.13  0.64  1.0
  H  H7  1  0.9  0.38  0.92  1.0
  C  C8  1  0.0  0.01  0.64  1.0
  C  C9  1  0.61  0.5  0.92  1.0
  N  N10  1  0.21  0.72  0.92  1.0
  N  N11  1  0.24  0.42  0.92  1.0
  N  N12  1  0.25  0.15  0.64  1.0
  N  N13  1  0.36  0.37  0.92  1.0
  N  N14  1  0.36  0.09  0.64  1.0
  N  N15  1  0.39  0.79  0.64  1.0

Yb Yb H H H H H H C C N N N N N N