data_[Cd2Ga6Ag2]
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 [P1]
_cell_length_a [5.5154]
_cell_length_b [5.6243]
_cell_length_c [6.5447]
_cell_angle_alpha [90.3494]
_cell_angle_beta [99.6170]
_cell_angle_gamma [90.2241]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CdGa3Ag]
_chemical_formula_sum '[Cd2 Ga6 Ag2]'
_cell_volume [200.1608]
_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  1  0.3590  0.3701  0.8356  1.0
  Cd  Cd1  1  0.6385  0.9149  0.1658  1.0
  Ga  Ga2  1  0.1603  0.6422  0.3465  1.0
  Ga  Ga3  1  0.1672  0.1627  0.3716  1.0
  Ga  Ga4  1  0.3910  0.8660  0.6844  1.0
  Ga  Ga5  1  0.6126  0.4167  0.3181  1.0
  Ga  Ga6  1  0.8167  0.1413  0.6386  1.0
  Ga  Ga7  1  0.8592  0.6638  0.6414  1.0
  Ag  Ag8  1  0.1069  0.9136  0.9937  1.0
  Ag  Ag9  1  0.8886  0.4088  0.0044  1.0
]