data_[Ca6Zn12Pd10]
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 [Pmmn]
_cell_length_a [4.3114]
_cell_length_b [12.6630]
_cell_length_c [9.5187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ca3Zn6Pd5]
_chemical_formula_sum '[Ca6 Zn12 Pd10]'
_cell_volume [519.6821]
_cell_formula_units_Z [2]
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  4  0.0000  0.3075  0.7517  1
  Ca  Ca1  2  0.0000  0.0000  0.7417  1
  Zn  Zn2  4  0.0000  0.1476  0.0186  1
  Zn  Zn3  4  0.0000  0.3199  0.4079  1
  Zn  Zn4  2  0.0000  0.5000  0.5626  1
  Zn  Zn5  2  0.0000  0.5000  0.9632  1
  Pd  Pd6  4  0.0000  0.1162  0.4644  1
  Pd  Pd7  4  0.0000  0.3389  0.1332  1
  Pd  Pd8  2  0.0000  0.0000  0.2115  1
]