data_[Tb12Sn4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sn  1.9600  1.4500  0.8300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6938]
_cell_length_b [12.7984]
_cell_length_c [9.7768]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tb3SnN]
_chemical_formula_sum '[Tb12 Sn4 N4]'
_cell_volume [462.1886]
_cell_formula_units_Z [4]
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  8  0.0000  0.3779  0.5405  1.0
  Tb  Tb1  4  0.0000  0.0401  0.7500  1.0
  Sn  Sn2  4  0.0000  0.2536  0.2500  1.0
  N  N3  4  0.0000  0.0000  0.0000  1.0
]