data_[Cd6Ga26]
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
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [7.7351]
_cell_length_b [9.8257]
_cell_length_c [8.4986]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Cd3Ga13]
_chemical_formula_sum '[Cd6 Ga26]'
_cell_volume [645.9117]
_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  0.2807  0.0000  0.9838  1.0
  Cd  Cd1  2  0.0000  0.0000  0.7448  1.0
  Ga  Ga2  8  0.2537  0.2420  0.2671  1.0
  Ga  Ga3  4  0.0000  0.2457  0.0166  1.0
  Ga  Ga4  4  0.2302  0.0000  0.4808  1.0
  Ga  Ga5  4  0.5000  0.2339  0.5188  1.0
  Ga  Ga6  2  0.0000  0.0000  0.2209  1.0
  Ga  Ga7  2  0.5000  0.0000  0.2560  1.0
  Ga  Ga8  2  0.5000  0.0000  0.7098  1.0
]