data_[Cd12Ga4Ag12]
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 [C2/m]
_cell_length_a [5.7265]
_cell_length_b [9.6582]
_cell_length_c [10.3714]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.9191]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd3GaAg3]
_chemical_formula_sum '[Cd12 Ga4 Ag12]'
_cell_volume [573.2959]
_cell_formula_units_Z [4]
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  0.0000  0.1737  0.5000  1.0
  Cd  Cd1  4  0.0000  0.1740  0.0000  1.0
  Cd  Cd2  4  0.0554  0.5000  0.3717  1.0
  Ga  Ga3  4  0.0888  0.5000  0.8889  1.0
  Ag  Ag4  8  0.2319  0.2562  0.7530  1.0
  Ag  Ag5  4  0.0049  0.0000  0.2520  1.0
]