data_[Sr16Ni6N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ni  1.9100  1.3500  0.7400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5527]
_cell_length_b [5.3208]
_cell_length_c [7.5149]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6414]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr8Ni3N8]
_chemical_formula_sum '[Sr16 Ni6 N16]'
_cell_volume [714.3593]
_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
[
  Sr  Sr0  4  0.0308  0.0000  0.2591  1.0
  Sr  Sr1  4  0.0975  0.5000  0.9594  1.0
  Sr  Sr2  4  0.1709  0.5000  0.4804  1.0
  Sr  Sr3  4  0.2000  0.0000  0.8164  1.0
  Ni  Ni4  4  0.1865  0.0000  0.2058  1.0
  Ni  Ni5  2  0.0000  0.5000  0.5000  1.0
  N  N6  4  0.0260  0.5000  0.2905  1.0
  N  N7  4  0.1025  0.0000  0.0036  1.0
  N  N8  4  0.1773  0.0000  0.4386  1.0
  N  N9  4  0.2202  0.5000  0.8352  1.0
]