data_[Li2Mg4Ag12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [14.2912]
_cell_length_b [8.0668]
_cell_length_c [2.8733]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.6411]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(MgAg3)2]
_chemical_formula_sum '[Li2 Mg4 Ag12]'
_cell_volume [328.2995]
_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
[
  Li  Li0  2  0.0000  0.0000  0.0000  1
  Mg  Mg1  4  0.1791  0.5000  0.4286  1
  Ag  Ag2  8  0.1618  0.1760  0.0340  1
  Ag  Ag3  4  0.0000  0.3211  0.5000  1
]