data_[Mg12Ga20Ag8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [11.0671]
_cell_length_b [12.4795]
_cell_length_c [5.8037]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Mg3Ga5Ag2]
_chemical_formula_sum '[Mg12 Ga20 Ag8]'
_cell_volume [801.5687]
_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  0.1242  0.2233  0.5000  1.0
  Mg  Mg1  4  0.0000  0.0000  0.2500  1.0
  Ga  Ga2  8  0.1165  0.3573  0.0000  1.0
  Ga  Ga3  8  0.2493  0.5000  0.2500  1.0
  Ga  Ga4  4  0.0000  0.5000  0.2500  1.0
  Ag  Ag5  8  0.1358  0.1538  0.0000  1.0
]