data_[Sr12Sn20]
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 [Cmcm]
_cell_length_a [10.7729]
_cell_length_b [8.6686]
_cell_length_c [11.0073]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sr3Sn5]
_chemical_formula_sum '[Sr12 Sn20]'
_cell_volume [1027.9236]
_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
[
  Sr  Sr0  8  0.2028  0.5000  0.0000  1.0
  Sr  Sr1  4  0.0000  0.1459  0.2500  1.0
  Sn  Sn2  8  0.0000  0.1878  0.5532  1.0
  Sn  Sn3  8  0.2004  0.2081  0.7500  1.0
  Sn  Sn4  4  0.0000  0.4575  0.7500  1.0
]