data_[Mg4Al2Si2N8]
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
  Si  1.9000  1.1000  0.5400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [6.1456]
_cell_length_b [5.7770]
_cell_length_c [5.1675]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Mg2AlSiN4]
_chemical_formula_sum '[Mg4 Al2 Si2 N8]'
_cell_volume [183.4636]
_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
[
  Mg  Mg0  4  0.2486  0.3372  0.4971  1
  Al  Al1  2  0.0000  0.1511  0.9960  1
  Si  Si2  2  0.0000  0.8359  0.4977  1
  N  N3  4  0.2389  0.6885  0.4061  1
  N  N4  2  0.0000  0.1168  0.3626  1
  N  N5  2  0.0000  0.8561  0.8374  1
]