data_[Zr12Al4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Al  1.6100  1.2500  0.6750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.3352]
_cell_length_b [13.1874]
_cell_length_c [7.8789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Zr6Al2N]
_chemical_formula_sum '[Zr12 Al4 N2]'
_cell_volume [346.5307]
_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
[
  Zr  Zr0  4  0.0000  0.1136  0.8779  1
  Zr  Zr1  4  0.5000  0.2015  0.1962  1
  Zr  Zr2  2  0.0000  0.0000  0.2400  1
  Zr  Zr3  2  0.5000  0.0000  0.5800  1
  Al  Al4  4  0.0000  0.1705  0.4928  1
  N  N5  2  0.5000  0.0000  0.0461  1
]