data_[Ta16Sn32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [5.6991]
_cell_length_b [9.8321]
_cell_length_c [19.5008]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [TaSn2]
_chemical_formula_sum '[Ta16 Sn32]'
_cell_volume [1092.7184]
_cell_formula_units_Z [16]
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
[
  Ta  Ta0  16  0.0000  0.0000  0.3723  1.0
  Sn  Sn1  16  0.0000  0.0000  0.0798  1.0
  Sn  Sn2  16  0.0000  0.1683  0.5000  1.0
]