data_[Mg20Ga4Ag8]
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 [I4/mcm]
_cell_length_a [7.3341]
_cell_length_b [7.3341]
_cell_length_c [12.0959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Mg5GaAg2]
_chemical_formula_sum '[Mg20 Ga4 Ag8]'
_cell_volume [650.6187]
_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  16  0.1563  0.3437  0.6538  1
  Mg  Mg1  4  0.0000  0.0000  0.0000  1
  Ga  Ga2  4  0.0000  0.0000  0.2500  1
  Ag  Ag3  8  0.1388  0.6388  0.5000  1
]