data_[Yb6Se4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Se  2.5500  1.1500  1.0133
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7383]
_cell_length_b [3.7383]
_cell_length_c [19.8955]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Yb3(SeN3)2]
_chemical_formula_sum '[Yb6 Se4 N12]'
_cell_volume [278.0423]
_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  4  0.0000  0.0000  0.1858  1
  Yb  Yb1  2  0.0000  0.0000  0.0000  1
  Se  Se2  4  0.0000  0.0000  0.3884  1
  N  N3  8  0.0000  0.5000  0.0830  1
  N  N4  4  0.0000  0.0000  0.3010  1
]