data_[Ba4Na2C4O12]
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 [C2/m]
_cell_length_a [9.9276]
_cell_length_b [5.3865]
_cell_length_c [7.0898]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.6310]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Na(CO3)2]
_chemical_formula_sum '[Ba4 Na2 C4 O12]'
_cell_volume [322.8034]
_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
[
  Ba  Ba0  4  0.2136  0.5000  0.2122  1
  Na  Na1  2  0.0000  0.5000  0.5000  1
  C  C2  4  0.0510  0.0000  0.2687  1
  O  O3  8  0.0271  0.2138  0.7922  1
  O  O4  4  0.2049  0.0000  0.3427  1
]