data_[Mg6Ag26]
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 [Amm2]
_cell_length_a [8.2213]
_cell_length_b [8.2764]
_cell_length_c [8.5642]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Mg3Ag13]
_chemical_formula_sum '[Mg6 Ag26]'
_cell_volume [582.7303]
_cell_formula_units_Z [2]
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  4  0.2575  0.0000  0.0084  1.0
  Mg  Mg1  2  0.0000  0.0000  0.7325  1.0
  Ag  Ag2  8  0.2494  0.2457  0.7512  1.0
  Ag  Ag3  4  0.0000  0.2390  0.9959  1.0
  Ag  Ag4  4  0.2484  0.0000  0.4980  1.0
  Ag  Ag5  4  0.5000  0.2492  0.5016  1.0
  Ag  Ag6  2  0.0000  0.0000  0.2509  1.0
  Ag  Ag7  2  0.5000  0.0000  0.2515  1.0
  Ag  Ag8  2  0.5000  0.0000  0.7527  1.0
]