data_[Sr12Mg4Ag12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mg  1.3100  1.5000  0.8600
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3037]
_cell_length_b [4.6650]
_cell_length_c [16.0193]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3070]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3MgAg3]
_chemical_formula_sum '[Sr12 Mg4 Ag12]'
_cell_volume [862.3028]
_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
[
  Sr  Sr0  4  0.0193  0.5000  0.3797  1
  Sr  Sr1  4  0.1035  0.5000  0.9222  1
  Sr  Sr2  4  0.2423  0.5000  0.2300  1
  Mg  Mg3  4  0.2408  0.0000  0.4128  1
  Ag  Ag4  4  0.0442  0.0000  0.2373  1
  Ag  Ag5  4  0.1062  0.0000  0.0774  1
  Ag  Ag6  4  0.1254  0.0000  0.5429  1
]