data_[Sr12Ag42]
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
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.9018]
_cell_length_b [5.9018]
_cell_length_c [41.7296]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sr2Ag7]
_chemical_formula_sum '[Sr12 Ag42]'
_cell_volume [1258.7772]
_cell_formula_units_Z [6]
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  0.0514  1.0
  Sr  Sr1  6  0.0000  0.0000  0.1486  1.0
  Ag  Ag2  18  0.0018  0.5009  0.8899  1.0
  Ag  Ag3  9  0.0000  0.5000  0.0000  1.0
  Ag  Ag4  6  0.0000  0.0000  0.2782  1.0
  Ag  Ag5  6  0.0000  0.0000  0.3883  1.0
  Ag  Ag6  3  -0.0000  -0.0000  0.5000  1.0
]