data_[Ba9Mg24Ag3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mg  1.3100  1.5000  0.8600
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.4332]
_cell_length_b [6.4332]
_cell_length_c [31.5196]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ba3Mg8Ag]
_chemical_formula_sum '[Ba9 Mg24 Ag3]'
_cell_volume [1129.7197]
_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  0.3767  1
  Ba  Ba1  3  0.0000  0.0000  0.5052  1
  Ba  Ba2  3  0.0000  0.0000  0.9954  1
  Mg  Mg3  9  0.0050  0.5025  0.4426  1
  Mg  Mg4  9  0.1670  0.3341  0.2706  1
  Mg  Mg5  3  0.0000  0.0000  0.1903  1
  Mg  Mg6  3  0.0000  0.0000  0.6892  1
  Ag  Ag7  3  0.0000  0.0000  0.8535  1
]