data_[Ba3Na6Mn3F18]
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
  Mn  1.5500  1.4000  0.6483
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.9387]
_cell_length_b [5.9387]
_cell_length_c [15.7503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [BaNa2MnF6]
_chemical_formula_sum '[Ba3 Na6 Mn3 F18]'
_cell_volume [481.0673]
_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  0.5003  1
  Na  Na1  3  0.0000  0.0000  0.2844  1
  Na  Na2  3  0.0000  0.0000  0.7733  1
  Mn  Mn3  3  0.0000  0.0000  0.9814  1
  F  F4  9  0.0015  0.6457  0.7109  1
  F  F5  9  0.0396  0.4230  0.5548  1
]