data_[Tb4Y2Zr6N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Y  1.2200  1.8000  1.0400
  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 [5.7956]
_cell_length_b [10.0555]
_cell_length_c [5.8740]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3419]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2YZr3N6]
_chemical_formula_sum '[Tb4 Y2 Zr6 N12]'
_cell_volume [323.0044]
_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  0.3333  0.0000  1.0
  Y  Y1  2  0.0000  0.0000  0.0000  1.0
  Zr  Zr2  4  0.0000  0.1665  0.5000  1.0
  Zr  Zr3  2  0.0000  0.5000  0.5000  1.0
  N  N4  8  0.2439  0.3337  0.7312  1.0
  N  N5  4  0.2430  0.0000  0.7312  1.0
]