data_[Na9Ca3N12O36]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [10.2072]
_cell_length_b [10.2072]
_cell_length_c [8.8361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [Na3Ca(NO3)4]
_chemical_formula_sum '[Na9 Ca3 N12 O36]'
_cell_volume [797.2728]
_cell_formula_units_Z [3]
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  9  0.0000  0.5138  0.0000  1.0
  Ca  Ca1  3  0.0000  0.0000  0.0000  1.0
  N  N2  9  0.0000  0.4832  0.5000  1.0
  N  N3  3  0.0000  0.0000  0.5000  1.0
  O  O4  18  0.0228  0.2071  0.8406  1.0
  O  O5  9  0.0000  0.6076  0.5000  1.0
  O  O6  9  0.0000  0.8758  0.5000  1.0
]