data_[Ba24In4Ag8]
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 [Immm]
_cell_length_a [11.0854]
_cell_length_b [11.8414]
_cell_length_c [12.1631]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ba6InAg2]
_chemical_formula_sum '[Ba24 In4 Ag8]'
_cell_volume [1596.6180]
_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  0.0000  0.1862  0.2475  1.0
  Ba  Ba1  8  0.1973  0.5000  0.1651  1.0
  Ba  Ba2  8  0.2253  0.6747  0.5000  1.0
  In  In3  2  0.0000  0.0000  0.0000  1.0
  In  In4  2  0.0000  0.0000  0.5000  1.0
  Ag  Ag5  4  0.0000  0.3309  0.0000  1.0
  Ag  Ag6  4  0.0000  0.5000  0.3824  1.0
]