data_[Ba16In4Ag4]
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 [C2/c]
_cell_length_a [11.0297]
_cell_length_b [16.0997]
_cell_length_c [7.7739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.3516]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba4InAg]
_chemical_formula_sum '[Ba16 In4 Ag4]'
_cell_volume [1153.0982]
_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  8  0.1260  0.1815  0.5946  1.0
  Ba  Ba1  8  0.1980  0.4422  0.7713  1.0
  In  In2  4  0.0000  0.3654  0.2500  1.0
  Ag  Ag3  4  0.0000  0.0006  0.7500  1.0
]