data_[Na4Ca4C4N8]
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
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmme]
_cell_length_a [7.2027]
_cell_length_b [11.5949]
_cell_length_c [5.4105]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [67]
_chemical_formula_structural [NaCaCN2]
_chemical_formula_sum '[Na4 Ca4 C4 N8]'
_cell_volume [451.8600]
_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  0.2500  0.1830  1
  Ca  Ca1  4  0.2500  0.0000  0.5000  1
  C  C2  4  0.0000  0.0000  0.0000  1
  N  N3  8  0.0000  0.0342  0.2165  1
]