data_[Tb4Sm2Ni4B4N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  Ni  1.9100  1.3500  0.7400
  B  2.0400  0.8500  0.4100
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.5178]
_cell_length_b [3.5178]
_cell_length_c [20.2496]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Tb2SmNi2B2N3]
_chemical_formula_sum '[Tb4 Sm2 Ni4 B4 N6]'
_cell_volume [250.5897]
_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  0.0000  0.0000  0.3757  1
  Sm  Sm1  2  0.0000  0.0000  0.0000  1
  Ni  Ni2  4  0.0000  0.5000  0.2500  1
  B  B3  4  0.0000  0.0000  0.1909  1
  N  N4  4  0.0000  0.0000  0.1192  1
  N  N5  2  0.0000  0.0000  0.5000  1
]