data_[Ba3Na9C12O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [10.4543]
_cell_length_b [10.4543]
_cell_length_c [9.1857]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [BaNa3(CO3)4]
_chemical_formula_sum '[Ba3 Na9 C12 O36]'
_cell_volume [869.4222]
_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
[
  Ba  Ba0  3  0.0000  0.0000  0.0000  1.0
  Na  Na1  9  0.0000  0.5483  0.0000  1.0
  C  C2  9  0.0000  0.4498  0.5000  1.0
  C  C3  3  0.0000  0.0000  0.5000  1.0
  O  O4  18  0.0058  0.2156  0.1740  1.0
  O  O5  9  0.0000  0.5730  0.5000  1.0
  O  O6  9  0.0000  0.8772  0.5000  1.0
]