data_[Cd6Ga1Ag1]
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 [P-1]
_cell_length_a [5.4206]
_cell_length_b [5.4933]
_cell_length_c [6.0074]
_cell_angle_alpha [86.8572]
_cell_angle_beta [88.8201]
_cell_angle_gamma [89.3099]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cd6GaAg]
_chemical_formula_sum '[Cd6 Ga1 Ag1]'
_cell_volume [178.5677]
_cell_formula_units_Z [1]
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  2  0.0232  0.2496  0.5268  1.0
  Cd  Cd1  2  0.2524  0.5006  0.9749  1.0
  Cd  Cd2  2  0.4869  0.0215  0.2546  1.0
  Ga  Ga3  1  0.0000  0.0000  0.0000  1.0
  Ag  Ag4  1  0.5000  0.5000  0.5000  1.0
]