data_[Ca16Ge4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.3932]
_cell_length_b [13.6864]
_cell_length_c [6.6873]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.5684]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ca4GePd]
_chemical_formula_sum '[Ca16 Ge4 Pd4]'
_cell_volume [716.3386]
_cell_formula_units_Z [4]
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  8  0.1249  0.1807  0.0921  1.0
  Ca  Ca1  8  0.2005  0.4433  0.2663  1.0
  Ge  Ge2  4  0.0000  0.3646  0.7500  1.0
  Pd  Pd3  4  0.0000  0.0059  0.2500  1.0
]