data_[Ba9Cd24Ag3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cd  1.6900  1.5500  1.0900
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.2674]
_cell_length_b [6.2674]
_cell_length_c [31.1615]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ba3Cd8Ag]
_chemical_formula_sum '[Ba9 Cd24 Ag3]'
_cell_volume [1060.0546]
_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  0.0073  1.0
  Ba  Ba1  3  0.0000  0.0000  0.4949  1.0
  Ba  Ba2  3  0.0000  0.0000  0.6226  1.0
  Cd  Cd3  9  0.0000  0.5000  0.0626  1.0
  Cd  Cd4  9  0.1677  0.3354  0.8922  1.0
  Cd  Cd5  3  0.0000  0.0000  0.3114  1.0
  Cd  Cd6  3  0.0000  0.0000  0.8096  1.0
  Ag  Ag7  3  0.0000  0.0000  0.1395  1.0
]