data_[Ba3Sr6Sn27]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.3285]
_cell_length_b [6.3285]
_cell_length_c [32.9558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [BaSr2Sn9]
_chemical_formula_sum '[Ba3 Sr6 Sn27]'
_cell_volume [1143.0451]
_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
  Sr  Sr1  6  0.0000  0.0000  0.1409  1
  Sn  Sn2  18  0.0031  0.5015  0.9156  1
  Sn  Sn3  6  0.0000  0.0000  0.3338  1
  Sn  Sn4  3  -0.0000  -0.0000  0.5000  1
]