data_[Tb6Si2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Si  1.9000  1.1000  0.5400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.3664]
_cell_length_b [6.4830]
_cell_length_c [5.2177]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Tb3SiN4]
_chemical_formula_sum '[Tb6 Si2 N8]'
_cell_volume [249.1795]
_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  0.2494  0.3344  0.5356  1
  Tb  Tb1  2  0.0000  0.8450  0.5354  1
  Si  Si2  2  0.0000  0.1673  0.9984  1
  N  N3  4  0.2044  0.3004  0.0851  1
  N  N4  2  0.0000  0.1677  0.6595  1
  N  N5  2  0.0000  0.8945  0.0806  1
]