data_[Ba4In16Ag4]
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 [Cmcm]
_cell_length_a [4.9029]
_cell_length_b [17.8979]
_cell_length_c [7.7183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaIn4Ag]
_chemical_formula_sum '[Ba4 In16 Ag4]'
_cell_volume [677.2898]
_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
[
  Ba  Ba0  4  0.0000  0.1218  0.2500  1.0
  In  In1  8  0.0000  0.3192  0.0552  1.0
  In  In2  4  0.0000  0.0685  0.7500  1.0
  In  In3  4  0.0000  0.5000  0.0000  1.0
  Ag  Ag4  4  0.0000  0.2267  0.7500  1.0
]