data_[Mg2Ga4Ag12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.2926]
_cell_length_b [4.3876]
_cell_length_c [8.6399]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.3014]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg(GaAg3)2]
_chemical_formula_sum '[Mg2 Ga4 Ag12]'
_cell_volume [323.5348]
_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  2  0.0000  0.0000  0.5000  1.0
  Ga  Ga1  4  0.1721  0.5000  0.7410  1.0
  Ag  Ag2  4  0.0084  0.0000  0.1721  1.0
  Ag  Ag3  4  0.1566  0.5000  0.4038  1.0
  Ag  Ag4  4  0.1709  0.5000  0.0639  1.0
]