data_[Na4Ca16N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.8007]
_cell_length_b [6.4707]
_cell_length_c [7.1711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7527]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaCa4N]
_chemical_formula_sum '[Na4 Ca16 N4]'
_cell_volume [746.5018]
_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
[
  Na  Na0  4  0.0000  0.1221  0.2500  1.0
  Ca  Ca1  8  0.1132  0.3886  0.9317  1.0
  Ca  Ca2  8  0.2092  0.0446  0.6829  1.0
  N  N3  4  0.2500  0.2500  0.0000  1.0
]