data_[Mg20Si8N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Si  1.9000  1.1000  0.5400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.4103]
_cell_length_b [5.3068]
_cell_length_c [12.1097]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.7498]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mg5(SiN3)2]
_chemical_formula_sum '[Mg20 Si8 N24]'
_cell_volume [602.6665]
_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  0.0965  0.2439  0.0229  1
  Mg  Mg1  8  0.1456  0.0767  0.7187  1
  Mg  Mg2  4  0.0000  0.3900  0.2500  1
  Si  Si3  8  0.2137  0.1448  0.4145  1
  N  N4  8  0.0417  0.0644  0.3705  1
  N  N5  8  0.1680  0.4580  0.6771  1
  N  N6  8  0.2309  0.4737  0.4497  1
]