data_[Sr12In6Ag6Pb36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.8510]
_cell_length_b [6.8510]
_cell_length_c [53.0029]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sr2InAgPb6]
_chemical_formula_sum '[Sr12 In6 Ag6 Pb36]'
_cell_volume [2154.4346]
_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  0.1001  1
  Sr  Sr1  6  0.0000  0.0000  0.3151  1
  In  In2  6  0.0000  0.0000  0.4205  1
  Ag  Ag3  3  -0.0000  -0.0000  0.5000  1
  Ag  Ag4  3  0.0000  0.0000  0.0000  1
  Pb  Pb5  18  0.0047  0.5023  0.2917  1
  Pb  Pb6  18  0.0198  0.5099  0.8700  1
]