data_[Ca9Zn24Pd3]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.3158]
_cell_length_b [5.3158]
_cell_length_c [27.4599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ca3Zn8Pd]
_chemical_formula_sum '[Ca9 Zn24 Pd3]'
_cell_volume [672.0076]
_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  0.0080  1.0
  Ca  Ca1  3  0.0000  0.0000  0.4956  1.0
  Ca  Ca2  3  0.0000  0.0000  0.6236  1.0
  Zn  Zn3  9  0.1674  0.3348  0.3993  1.0
  Zn  Zn4  9  0.1677  0.3354  0.8940  1.0
  Zn  Zn5  3  0.0000  0.0000  0.3152  1.0
  Zn  Zn6  3  0.0000  0.0000  0.8119  1.0
  Pd  Pd7  3  0.0000  0.0000  0.1157  1.0
]