data_[Tb6Sm2Zr4N12]
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
  Zr  1.3300  1.5500  0.8600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9075]
_cell_length_b [3.4153]
_cell_length_c [6.8693]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3348]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3SmZr2N6]
_chemical_formula_sum '[Tb6 Sm2 Zr4 N12]'
_cell_volume [340.3180]
_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  0.1673  0.0000  0.8323  1
  Tb  Tb1  2  0.0000  0.5000  0.5000  1
  Sm  Sm2  2  0.0000  0.5000  0.0000  1
  Zr  Zr3  4  0.1676  0.0000  0.3358  1
  N  N4  4  0.0090  0.0000  0.2605  1
  N  N5  4  0.1701  0.5000  0.1015  1
  N  N6  4  0.1718  0.5000  0.5734  1
]