data_[Mg16Al2Ag4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.6686]
_cell_length_b [14.4339]
_cell_length_c [6.8743]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Mg8AlAg2]
_chemical_formula_sum '[Mg16 Al2 Ag4]'
_cell_volume [463.2317]
_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  0.0000  0.1140  0.7811  1
  Mg  Mg1  4  0.0000  0.2962  0.4809  1
  Mg  Mg2  4  0.0000  0.3379  0.9449  1
  Mg  Mg3  2  0.0000  0.0000  0.4150  1
  Mg  Mg4  2  0.0000  0.5000  0.6118  1
  Al  Al5  2  0.0000  0.5000  0.1959  1
  Ag  Ag6  4  0.0000  0.1571  0.1829  1
]