data_[Cd6Ga2Ag12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ga  1.8100  1.3000  0.7600
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.5033]
_cell_length_b [7.0919]
_cell_length_c [10.6459]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.4990]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cd3GaAg6]
_chemical_formula_sum '[Cd6 Ga2 Ag12]'
_cell_volume [404.0605]
_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
[
  Cd  Cd0  4  0.3145  0.1883  0.7453  1.0
  Cd  Cd1  2  0.5000  0.0000  0.5000  1.0
  Ga  Ga2  2  0.0000  0.0000  0.0000  1.0
  Ag  Ag3  4  0.0530  0.6418  0.2484  1.0
  Ag  Ag4  4  0.2036  0.6506  0.0568  1.0
  Ag  Ag5  4  0.3877  0.1276  0.0461  1.0
]