data_[Yb6B3I3N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  B  2.0400  0.8500  0.4100
  I  2.6600  1.4000  1.2733
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.8974]
_cell_length_b [3.8974]
_cell_length_c [26.6098]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Yb2BIN2]
_chemical_formula_sum '[Yb6 B3 I3 N6]'
_cell_volume [350.0447]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.2448  1
  B  B1  3  -0.0000  -0.0000  0.5000  1
  I  I2  3  0.0000  0.0000  0.0000  1
  N  N3  6  0.0000  0.0000  0.4493  1
]