data_[Ba6Mg3Al3Ag18]
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
  Al  1.6100  1.2500  0.6750
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.0590]
_cell_length_b [7.0590]
_cell_length_c [18.5062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba2MgAlAg6]
_chemical_formula_sum '[Ba6 Mg3 Al3 Ag18]'
_cell_volume [798.6033]
_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  6  0.0000  0.0000  0.7136  1.0
  Mg  Mg1  3  0.0000  0.0000  0.0000  1.0
  Al  Al2  3  -0.0000  -0.0000  0.5000  1.0
  Ag  Ag3  18  0.0615  0.5308  0.7850  1.0
]