data_[Ba4Na6Mo2O12]
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
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2820]
_cell_length_b [11.3407]
_cell_length_c [5.8777]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0702]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Na3MoO6]
_chemical_formula_sum '[Ba4 Na6 Mo2 O12]'
_cell_volume [395.7635]
_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  0.0000  0.3277  0.0000  1.0
  Na  Na1  4  0.0000  0.1298  0.5000  1.0
  Na  Na2  2  0.0000  0.5000  0.5000  1.0
  Mo  Mo3  2  0.0000  0.0000  0.0000  1.0
  O  O4  8  0.2008  0.1295  0.2223  1.0
  O  O5  4  0.2020  0.0000  0.8033  1.0
]