data_[Sr16Ge8N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ge  2.0100  1.2500  0.7700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.4646]
_cell_length_b [11.4724]
_cell_length_c [12.2666]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Sr2GeN2]
_chemical_formula_sum '[Sr16 Ge8 N16]'
_cell_volume [769.0139]
_cell_formula_units_Z [8]
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
[
  Sr  Sr0  8  0.0000  0.0479  0.3577  1.0
  Sr  Sr1  8  0.0000  0.1440  0.9417  1.0
  Ge  Ge2  8  0.0000  0.2397  0.1800  1.0
  N  N3  8  0.0000  0.0790  0.1415  1.0
  N  N4  8  0.0000  0.1601  0.5596  1.0
]