data_[Mg16Ga4Ag2]
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 [15.6794]
_cell_length_b [4.6527]
_cell_length_c [6.8329]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2878]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg8Ga2Ag]
_chemical_formula_sum '[Mg16 Ga4 Ag2]'
_cell_volume [457.8610]
_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  0.0242  0.0000  0.7761  1.0
  Mg  Mg1  4  0.1004  0.5000  0.4452  1.0
  Mg  Mg2  4  0.1672  0.5000  0.9297  1.0
  Mg  Mg3  4  0.1829  0.0000  0.2588  1.0
  Ga  Ga4  4  0.1840  0.0000  0.6747  1.0
  Ag  Ag5  2  0.0000  0.5000  0.0000  1.0
]