data_[Ba8Ti4Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ti  1.5400  1.4000  0.8517
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.4817]
_cell_length_b [8.2714]
_cell_length_c [13.0269]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ba2TiSn]
_chemical_formula_sum '[Ba8 Ti4 Sn4]'
_cell_volume [590.6588]
_cell_formula_units_Z [4]
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  0.2318  0.4143  1
  Ba  Ba1  2  0.0000  0.0000  0.1625  1
  Ba  Ba2  2  0.5000  0.0000  0.8342  1
  Ti  Ti3  4  0.5000  0.1204  0.5779  1
  Sn  Sn4  2  0.0000  0.0000  0.6583  1
  Sn  Sn5  2  0.5000  0.0000  0.3606  1
]