data_[Ba6Na6Sn6]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.7718]
_cell_length_b [5.7718]
_cell_length_c [24.0003]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [BaNaSn]
_chemical_formula_sum '[Ba6 Na6 Sn6]'
_cell_volume [692.4137]
_cell_formula_units_Z [6]
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  0.2877  1.0
  Ba  Ba1  3  0.0000  0.0000  0.7351  1.0
  Na  Na2  3  0.0000  0.0000  0.4953  1.0
  Na  Na3  3  0.0000  0.0000  0.8798  1.0
  Sn  Sn4  3  0.0000  0.0000  0.0136  1.0
  Sn  Sn5  3  0.0000  0.0000  0.1418  1.0
]