data_[Ca12Zn36Ga6Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.3896]
_cell_length_b [6.3896]
_cell_length_c [34.5477]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ca2Zn6GaPd]
_chemical_formula_sum '[Ca12 Zn36 Ga6 Pd6]'
_cell_volume [1221.5280]
_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  0.1357  1
  Ca  Ca1  6  0.0000  0.0000  0.3074  1
  Zn  Zn2  18  0.0478  0.5239  0.7216  1
  Zn  Zn3  18  0.0678  0.5339  0.8796  1
  Ga  Ga4  6  0.0000  0.0000  0.4230  1
  Pd  Pd5  3  -0.0000  -0.0000  0.5000  1
  Pd  Pd6  3  0.0000  0.0000  0.0000  1
]