data_[Cd26In6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [6.0123]
_cell_length_b [11.4064]
_cell_length_c [11.4269]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Cd13In3]
_chemical_formula_sum '[Cd26 In6]'
_cell_volume [783.6333]
_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  8  0.2500  0.2470  0.2498  1.0
  Cd  Cd1  4  0.0000  0.2446  0.4995  1.0
  Cd  Cd2  4  0.2503  0.0000  0.4965  1.0
  Cd  Cd3  4  0.5000  0.2438  0.5003  1.0
  Cd  Cd4  2  0.0000  0.0000  0.2563  1.0
  Cd  Cd5  2  0.5000  0.0000  0.2562  1.0
  Cd  Cd6  2  0.5000  0.0000  0.7437  1.0
  In  In7  4  0.2499  0.0000  0.0037  1.0
  In  In8  2  0.0000  0.0000  0.7449  1.0
]