data_[Ca6Si6Pd9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.5456]
_cell_length_b [4.5456]
_cell_length_c [22.5936]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ca2Si2Pd3]
_chemical_formula_sum '[Ca6 Si6 Pd9]'
_cell_volume [404.2938]
_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
[
  Ca  Ca0  3  0.0000  0.0000  0.2419  1
  Ca  Ca1  3  0.0000  0.0000  0.7611  1
  Si  Si2  3  0.0000  0.0000  0.0037  1
  Si  Si3  3  0.0000  0.0000  0.4912  1
  Pd  Pd4  3  0.0000  0.0000  0.1174  1
  Pd  Pd5  3  0.0000  0.0000  0.3720  1
  Pd  Pd6  3  0.0000  0.0000  0.6376  1
]