data_[Ca12Cd6In36Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.2168]
_cell_length_b [7.2168]
_cell_length_c [37.2579]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ca2CdIn6Pd]
_chemical_formula_sum '[Ca12 Cd6 In36 Pd6]'
_cell_volume [1680.5142]
_cell_formula_units_Z [6]
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
[
  Ca  Ca0  6  0.0000  0.0000  0.1022  1
  Ca  Ca1  6  0.0000  0.0000  0.2788  1
  Cd  Cd2  6  0.0000  0.0000  0.4258  1
  In  In3  18  0.0493  0.5247  0.3028  1
  In  In4  18  0.0609  0.5305  0.8643  1
  Pd  Pd5  3  -0.0000  -0.0000  0.5000  1
  Pd  Pd6  3  0.0000  0.0000  0.0000  1
]