data_[Mg8Ag12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [6.5936]
_cell_length_b [11.3813]
_cell_length_c [5.3927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Mg2Ag3]
_chemical_formula_sum '[Mg8 Ag12]'
_cell_volume [404.6843]
_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
[
  Mg  Mg0  8  0.2436  0.8266  0.5000  1
  Ag  Ag1  8  0.1468  0.4105  0.0000  1
  Ag  Ag2  4  0.0000  0.0000  0.2500  1
]