data_[Mg14Al1Ag1]
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 [P4/mmm]
_cell_length_a [6.4180]
_cell_length_b [6.4180]
_cell_length_c [8.5006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Mg14AlAg]
_chemical_formula_sum '[Mg14 Al1 Ag1]'
_cell_volume [350.1409]
_cell_formula_units_Z [1]
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  8  0.2485  0.2485  0.2377  1
  Mg  Mg1  2  0.0000  0.5000  0.0000  1
  Mg  Mg2  2  0.0000  0.5000  0.5000  1
  Mg  Mg3  1  0.0000  0.0000  0.5000  1
  Mg  Mg4  1  0.5000  0.5000  0.5000  1
  Al  Al5  1  0.5000  0.5000  0.0000  1
  Ag  Ag6  1  0.0000  0.0000  0.0000  1
]