data_[Sr16Zn4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Zn  1.6500  1.3500  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.5091]
_cell_length_b [5.2376]
_cell_length_c [12.0048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.1752]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr4ZnN]
_chemical_formula_sum '[Sr16 Zn4 N4]'
_cell_volume [889.6291]
_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
[
  Sr  Sr0  4  0.0742  0.0000  0.4050  1.0
  Sr  Sr1  4  0.0988  0.5000  0.6965  1.0
  Sr  Sr2  4  0.1161  0.0000  0.9321  1.0
  Sr  Sr3  4  0.2283  0.5000  0.2558  1.0
  Zn  Zn4  4  0.2080  0.5000  0.5145  1.0
  N  N5  4  0.1023  0.0000  0.7256  1.0
]