data_[In4Ag24Sn12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [8.1237]
_cell_length_b [14.1115]
_cell_length_c [7.5861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [In(Ag2Sn)3]
_chemical_formula_sum '[In4 Ag24 Sn12]'
_cell_volume [869.6515]
_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
[
  In  In0  4  0.0000  0.2506  0.3833  1
  Ag  Ag1  8  0.1855  0.2242  0.6986  1
  Ag  Ag2  8  0.2374  0.0935  0.3966  1
  Ag  Ag3  4  0.0000  0.0445  0.6960  1
  Ag  Ag4  4  0.0000  0.2786  0.0037  1
  Sn  Sn5  8  0.2093  0.0990  0.0155  1
  Sn  Sn6  4  0.0000  0.4570  0.2101  1
]