data_[Sr18Cd6N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cd  1.6900  1.5500  1.0900
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.6509]
_cell_length_b [7.6509]
_cell_length_c [19.0899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Sr9Cd3N2]
_chemical_formula_sum '[Sr18 Cd6 N4]'
_cell_volume [967.7495]
_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  12  0.1749  0.3498  0.5887  1
  Sr  Sr1  6  0.0267  0.5133  0.7500  1
  Cd  Cd2  4  0.3333  0.6667  0.4203  1
  Cd  Cd3  2  0.0000  0.0000  0.2500  1
  N  N4  4  0.3333  0.6667  0.6603  1
]