data_[Mg8Al4Ag2]
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 [P2_1/m]
_cell_length_a [7.0555]
_cell_length_b [5.9467]
_cell_length_c [7.5816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7387]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Mg4Al2Ag]
_chemical_formula_sum '[Mg8 Al4 Ag2]'
_cell_volume [293.3754]
_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  0.2347  0.5022  0.5946  1
  Mg  Mg1  2  0.0176  0.7500  0.8536  1
  Mg  Mg2  2  0.4160  0.2500  0.0287  1
  Al  Al3  2  0.0028  0.7500  0.2389  1
  Al  Al4  2  0.3711  0.7500  0.2302  1
  Ag  Ag5  2  0.4160  0.2500  0.3867  1
]