data_[Cd3In36Ga18]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.5567]
_cell_length_b [12.5567]
_cell_length_c [11.8911]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Cd(In2Ga)6]
_chemical_formula_sum '[Cd3 In36 Ga18]'
_cell_volume [1623.6895]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1.0
  In  In1  18  0.0414  0.2258  0.4070  1.0
  In  In2  18  0.0425  0.2337  0.9001  1.0
  Ga  Ga3  18  0.0466  0.2444  0.6595  1.0
]