data_[Sr6Ag45Sn6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.9189]
_cell_length_b [9.9189]
_cell_length_c [14.3207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sr2Ag15Sn2]
_chemical_formula_sum '[Sr6 Ag45 Sn6]'
_cell_volume [1220.1846]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3457  1.0
  Ag  Ag1  18  0.0000  0.3123  0.0000  1.0
  Ag  Ag2  18  0.0034  0.5017  0.1569  1.0
  Ag  Ag3  9  0.0000  0.5000  0.5000  1.0
  Sn  Sn4  6  0.0000  0.0000  0.1004  1.0
]