data_[Mg12Al8N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.0180]
_cell_length_b [7.2707]
_cell_length_c [5.4904]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3151]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mg3(AlN2)2]
_chemical_formula_sum '[Mg12 Al8 N16]'
_cell_volume [399.8996]
_cell_formula_units_Z [4]
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
[
  Mg  Mg0  8  0.1124  0.1247  0.0313  1.0
  Mg  Mg1  4  0.0000  0.4021  0.2500  1.0
  Al  Al2  8  0.1898  0.3761  0.6066  1.0
  N  N3  8  0.1203  0.1633  0.4338  1.0
  N  N4  8  0.1414  0.4087  0.9331  1.0
]