data_[Na3Cd24In9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.9582]
_cell_length_b [5.9582]
_cell_length_c [29.4260]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [NaCd8In3]
_chemical_formula_sum '[Na3 Cd24 In9]'
_cell_volume [904.6742]
_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
[
  Na  Na0  3  0.0000  0.0000  0.8748  1
  Cd  Cd1  9  0.0003  0.5001  0.4372  1
  Cd  Cd2  9  0.0006  0.5003  0.9370  1
  Cd  Cd3  3  0.0000  0.0000  0.1877  1
  Cd  Cd4  3  0.0000  0.0000  0.6871  1
  In  In5  3  0.0000  0.0000  0.0008  1
  In  In6  3  0.0000  0.0000  0.3755  1
  In  In7  3  0.0000  0.0000  0.5014  1
]