data_[Mg16Ag32O64]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.7238]
_cell_length_b [6.5143]
_cell_length_c [20.9984]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0208]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Mg(AgO2)2]
_chemical_formula_sum '[Mg16 Ag32 O64]'
_cell_volume [1448.7681]
_cell_formula_units_Z [16]
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  2  0.1235  0.5000  0.8754  1
  Mg  Mg1  2  0.1247  0.0000  0.3751  1
  Mg  Mg2  2  0.1417  0.0000  0.9699  1
  Mg  Mg3  2  0.2506  0.0000  0.2507  1
  Mg  Mg4  2  0.3736  0.5000  0.6251  1
  Mg  Mg5  2  0.3739  0.0000  0.1248  1
  Mg  Mg6  2  0.3924  0.0000  0.7197  1
  Mg  Mg7  2  0.4997  0.5000  0.4990  1
  Ag  Ag8  4  0.1226  0.2468  0.6236  1
  Ag  Ag9  4  0.1275  0.2446  0.1264  1
  Ag  Ag10  4  0.3752  0.7500  0.3753  1
  Ag  Ag11  4  0.3753  0.2476  0.8754  1
  Ag  Ag12  2  0.0002  0.5000  0.0002  1
  Ag  Ag13  2  0.1018  0.0000  0.7812  1
  Ag  Ag14  2  0.1076  0.5000  0.2835  1
  Ag  Ag15  2  0.1426  0.5000  0.4664  1
  Ag  Ag16  2  0.2476  0.5000  0.7484  1
  Ag  Ag17  2  0.3517  0.5000  0.0322  1
  Ag  Ag18  2  0.3570  0.0000  0.5319  1
  Ag  Ag19  2  0.3918  0.5000  0.2180  1
  O  O20  4  0.0489  0.2123  0.4332  1
  O  O21  4  0.0574  0.2728  0.9340  1
  O  O22  4  0.2013  0.2838  0.8152  1
  O  O23  4  0.2015  0.2132  0.3174  1
  O  O24  4  0.3006  0.7891  0.1829  1
  O  O25  4  0.3029  0.2712  0.6841  1
  O  O26  4  0.4495  0.2862  0.5666  1
  O  O27  4  0.4535  0.2178  0.0674  1
  O  O28  2  0.0610  0.0000  0.6753  1
  O  O29  2  0.0624  0.5000  0.1787  1
  O  O30  2  0.0625  0.5000  0.6855  1
  O  O31  2  0.0752  0.0000  0.1858  1
  O  O32  2  0.1777  0.5000  0.0687  1
  O  O33  2  0.1778  0.0000  0.5639  1
  O  O34  2  0.1868  0.5000  0.5744  1
  O  O35  2  0.1931  0.0000  0.0671  1
  O  O36  2  0.3099  0.0000  0.9374  1
  O  O37  2  0.3123  0.0000  0.4278  1
  O  O38  2  0.3126  0.5000  0.9257  1
  O  O39  2  0.3253  0.5000  0.4334  1
  O  O40  2  0.4253  0.0000  0.3172  1
  O  O41  2  0.4259  0.5000  0.8130  1
  O  O42  2  0.4383  0.5000  0.3226  1
  O  O43  2  0.4412  0.0000  0.8194  1
]