data_[Ba1In3Ag8]
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 [P3m1]
_cell_length_a [5.6634]
_cell_length_b [5.6634]
_cell_length_c [9.6463]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [BaIn3Ag8]
_chemical_formula_sum '[Ba1 In3 Ag8]'
_cell_volume [267.9501]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5685  1
  In  In1  1  0.0000  0.0000  0.9557  1
  In  In2  1  0.6667  0.3333  0.0568  1
  In  In3  1  0.6667  0.3333  0.3952  1
  Ag  Ag4  3  0.1655  0.3309  0.2450  1
  Ag  Ag5  3  0.5020  0.0040  0.7629  1
  Ag  Ag6  1  0.3333  0.6667  0.0021  1
  Ag  Ag7  1  0.3333  0.6667  0.4979  1
]