data_[Mg3Ag15]
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
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [5.0986]
_cell_length_b [5.0986]
_cell_length_c [14.4645]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [MgAg5]
_chemical_formula_sum '[Mg3 Ag15]'
_cell_volume [325.6351]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.5000  1.0
  Ag  Ag1  9  0.0000  0.6669  0.0000  1.0
  Ag  Ag2  6  0.0000  0.0000  0.1668  1.0
]