data_[Sr6Sn26]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [11.3594]
_cell_length_b [6.9379]
_cell_length_c [11.9357]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Sr3Sn13]
_chemical_formula_sum '[Sr6 Sn26]'
_cell_volume [940.6608]
_cell_formula_units_Z [2]
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
[
  Sr  Sr0  4  0.2367  0.0000  0.9738  1
  Sr  Sr1  2  0.0000  0.0000  0.3062  1
  Sn  Sn2  8  0.2569  0.2288  0.7152  1
  Sn  Sn3  4  0.0000  0.2192  0.5673  1
  Sn  Sn4  4  0.2523  0.0000  0.4826  1
  Sn  Sn5  4  0.5000  0.2213  0.5029  1
  Sn  Sn6  2  0.0000  0.0000  0.7869  1
  Sn  Sn7  2  0.5000  0.0000  0.2143  1
  Sn  Sn8  2  0.5000  0.0000  0.7787  1
]