# generated using pymatgen
data_Ba5Si2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.70844445
_cell_length_b   8.70844445
_cell_length_c   17.00883950
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba5Si2Sn
_chemical_formula_sum   'Ba20 Si8 Sn4'
_cell_volume   1289.89944196
_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  1  0.30812642  0.67357240  0.11471120  1.0
  Ba  Ba1  1  0.17357240  0.19187358  0.11471120  1.0
  Ba  Ba2  1  0.50000000  0.00000000  0.72994032  1.0
  Ba  Ba3  1  0.32642760  0.69187358  0.38528880  1.0
  Ba  Ba4  1  0.67357240  0.69187358  0.88528880  1.0
  Ba  Ba5  1  0.19187358  0.17357240  0.38528880  1.0
  Ba  Ba6  1  0.67357240  0.30812642  0.38528880  1.0
  Ba  Ba7  1  0.17357240  0.80812642  0.61471120  1.0
  Ba  Ba8  1  0.32642760  0.30812642  0.88528880  1.0
  Ba  Ba9  1  0.19187358  0.82642760  0.88528880  1.0
  Ba  Ba10  1  0.50000000  0.00000000  0.22994032  1.0
  Ba  Ba11  1  0.82642760  0.19187358  0.61471120  1.0
  Ba  Ba12  1  0.30812642  0.32642760  0.61471120  1.0
  Ba  Ba13  1  0.80812642  0.82642760  0.38528880  1.0
  Ba  Ba14  1  0.80812642  0.17357240  0.88528880  1.0
  Ba  Ba15  1  0.82642760  0.80812642  0.11471120  1.0
  Ba  Ba16  1  0.00000000  0.50000000  0.27005968  1.0
  Ba  Ba17  1  0.00000000  0.50000000  0.77005968  1.0
  Ba  Ba18  1  0.69187358  0.32642760  0.11471120  1.0
  Ba  Ba19  1  0.69187358  0.67357240  0.61471120  1.0
  Si  Si20  1  0.10122463  0.10122463  0.75000000  1.0
  Si  Si21  1  0.39877537  0.60122463  0.75000000  1.0
  Si  Si22  1  0.60122463  0.60122463  0.25000000  1.0
  Si  Si23  1  0.10122463  0.89877537  0.25000000  1.0
  Si  Si24  1  0.60122463  0.39877537  0.75000000  1.0
  Si  Si25  1  0.89877537  0.89877537  0.75000000  1.0
  Si  Si26  1  0.39877537  0.39877537  0.25000000  1.0
  Si  Si27  1  0.89877537  0.10122463  0.25000000  1.0
  Sn  Sn28  1  0.00000000  0.50000000  0.99288747  1.0
  Sn  Sn29  1  0.50000000  0.00000000  0.00711253  1.0
  Sn  Sn30  1  0.50000000  0.00000000  0.50711253  1.0
  Sn  Sn31  1  0.00000000  0.50000000  0.49288747  1.0