data_[Ba2Sr3Al5Sn1]
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
  Al  1.6100  1.2500  0.6750
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.9396]
_cell_length_b [5.9396]
_cell_length_c [10.9348]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Ba2Sr3Al5Sn]
_chemical_formula_sum '[Ba2 Sr3 Al5 Sn1]'
_cell_volume [334.0813]
_cell_formula_units_Z [1]
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  2  0.6667  0.3333  0.1981  1
  Sr  Sr1  2  0.0000  0.0000  0.3299  1
  Sr  Sr2  1  0.3333  0.6667  0.0000  1
  Al  Al3  3  0.5089  0.0179  0.5000  1
  Al  Al4  2  0.3333  0.6667  0.3148  1
  Sn  Sn5  1  0.0000  0.0000  0.0000  1
]