data_[Mg12Cd6Ag2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.3063]
_cell_length_b [4.5421]
_cell_length_c [10.0468]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.8483]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Mg6Cd3Ag]
_chemical_formula_sum '[Mg12 Cd6 Ag2]'
_cell_volume [422.4685]
_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  0.0534  0.7500  0.8937  1
  Mg  Mg1  2  0.1358  0.2500  0.6826  1
  Mg  Mg2  2  0.1502  0.7500  0.1976  1
  Mg  Mg3  2  0.2286  0.7500  0.4973  1
  Mg  Mg4  2  0.3497  0.2500  0.3024  1
  Mg  Mg5  2  0.4529  0.7500  0.0973  1
  Cd  Cd6  2  0.2433  0.2500  0.0003  1
  Cd  Cd7  2  0.3471  0.7500  0.7941  1
  Cd  Cd8  2  0.4520  0.2500  0.5997  1
  Ag  Ag9  2  0.0582  0.2500  0.3855  1
]