data_[Mg12Ga6Ag2]
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 [P2_1/m]
_cell_length_a [8.1402]
_cell_length_b [4.8365]
_cell_length_c [10.6402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2787]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Mg6Ga3Ag]
_chemical_formula_sum '[Mg12 Ga6 Ag2]'
_cell_volume [392.9425]
_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  0.0913  0.7500  0.8672  1
  Mg  Mg1  2  0.1464  0.7500  0.1634  1
  Mg  Mg2  2  0.1526  0.2500  0.7040  1
  Mg  Mg3  2  0.2533  0.7500  0.4905  1
  Mg  Mg4  2  0.3310  0.2500  0.3306  1
  Mg  Mg5  2  0.4663  0.7500  0.0746  1
  Ga  Ga6  2  0.2269  0.2500  0.0266  1
  Ga  Ga7  2  0.3930  0.7500  0.7775  1
  Ga  Ga8  2  0.4625  0.2500  0.6289  1
  Ag  Ag9  2  0.0386  0.2500  0.4186  1
]