data_[Li2Tb4Zr6N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tb  1.1000  1.7500  0.9815
  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 [14.5178]
_cell_length_b [3.3255]
_cell_length_c [6.7466]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6907]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiTb2Zr3N6]
_chemical_formula_sum '[Li2 Tb4 Zr6 N12]'
_cell_volume [315.0703]
_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
[
  Li  Li0  2  0.0000  0.5000  0.0000  1.0
  Tb  Tb1  4  0.1618  0.0000  0.3217  1.0
  Zr  Zr2  4  0.1607  0.0000  0.8359  1.0
  Zr  Zr3  2  0.0000  0.5000  0.5000  1.0
  N  N4  4  0.0059  0.0000  0.7292  1.0
  N  N5  4  0.1624  0.5000  0.5928  1.0
  N  N6  4  0.1709  0.5000  0.0703  1.0
]