data_[Ba16In2Ag4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.7437]
_cell_length_b [15.5336]
_cell_length_c [6.5428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6131]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ba8InAg2]
_chemical_formula_sum '[Ba16 In2 Ag4]'
_cell_volume [1056.5973]
_cell_formula_units_Z [2]
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
[
  Ba  Ba0  4  0.0024  0.2391  0.9956  1
  Ba  Ba1  4  0.1965  0.1292  0.5831  1
  Ba  Ba2  4  0.3119  0.3707  0.4050  1
  Ba  Ba3  2  0.1356  0.5000  0.8055  1
  Ba  Ba4  2  0.3681  0.0000  0.1878  1
  In  In5  2  0.0026  0.0000  0.0487  1
  Ag  Ag6  4  0.0031  0.3170  0.4951  1
]