data_[Tb12Se2S4N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.5731]
_cell_length_b [3.6616]
_cell_length_c [7.6530]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8103]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6SeS2N3]
_chemical_formula_sum '[Tb12 Se2 S4 N6]'
_cell_volume [444.5712]
_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
[
  Tb  Tb0  4  0.0102  0.0000  0.7211  1.0
  Tb  Tb1  4  0.1586  0.5000  0.6046  1.0
  Tb  Tb2  4  0.1781  0.5000  0.0615  1.0
  Se  Se3  2  0.0000  0.5000  0.0000  1.0
  S  S4  4  0.1664  0.0000  0.3322  1.0
  N  N5  4  0.1671  0.0000  0.8312  1.0
  N  N6  2  0.0000  0.5000  0.5000  1.0
]