data_[Ba9In3Ag24]
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 [R3m]
_cell_length_a [5.9423]
_cell_length_b [5.9423]
_cell_length_c [29.7800]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ba3InAg8]
_chemical_formula_sum '[Ba9 In3 Ag24]'
_cell_volume [910.6743]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3770  1
  Ba  Ba1  3  0.0000  0.0000  0.5057  1
  Ba  Ba2  3  0.0000  0.0000  0.9930  1
  In  In3  3  0.0000  0.0000  0.8718  1
  Ag  Ag4  9  0.0016  0.5008  0.4397  1
  Ag  Ag5  9  0.0050  0.5025  0.9359  1
  Ag  Ag6  3  0.0000  0.0000  0.1887  1
  Ag  Ag7  3  0.0000  0.0000  0.6871  1
]