data_[Mg16Ga2Ag4]
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 [15.8177]
_cell_length_b [4.6329]
_cell_length_c [6.8381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5929]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg8GaAg2]
_chemical_formula_sum '[Mg16 Ga2 Ag4]'
_cell_volume [459.2190]
_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  0.0199  0.0000  0.7600  1.0
  Mg  Mg1  4  0.1097  0.5000  0.4399  1.0
  Mg  Mg2  4  0.1670  0.5000  0.9309  1.0
  Mg  Mg3  4  0.1852  0.0000  0.2540  1.0
  Ga  Ga4  2  0.0000  0.5000  0.0000  1.0
  Ag  Ag5  4  0.1804  0.0000  0.6726  1.0
]