data_[Ba2In8Ag4]
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 [Cmmm]
_cell_length_a [4.9080]
_cell_length_b [16.2339]
_cell_length_c [4.8556]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ba(In2Ag)2]
_chemical_formula_sum '[Ba2 In8 Ag4]'
_cell_volume [386.8813]
_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  2  0.0000  0.0000  0.0000  1.0
  In  In1  4  0.0000  0.1801  0.5000  1.0
  In  In2  4  0.0000  0.3142  0.0000  1.0
  Ag  Ag3  4  0.0000  0.4145  0.5000  1.0
]