data_[Cd16In8]
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 [C2/m]
_cell_length_a [31.0601]
_cell_length_b [4.3673]
_cell_length_c [4.4411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.0205]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd2In]
_chemical_formula_sum '[Cd16 In8]'
_cell_volume [599.1130]
_cell_formula_units_Z [8]
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  0.0437  0.0000  0.7888  1.0
  Cd  Cd1  4  0.1246  0.0000  0.3764  1.0
  Cd  Cd2  4  0.1252  0.5000  0.8778  1.0
  Cd  Cd3  4  0.2063  0.0000  0.9565  1.0
  In  In4  4  0.0430  0.5000  0.2891  1.0
  In  In5  4  0.2062  0.5000  0.4571  1.0
]