data_[Ca2Zn4Ge4Pd2]
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
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [5.3965]
_cell_length_b [10.8198]
_cell_length_c [4.4133]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [CaZn2Ge2Pd]
_chemical_formula_sum '[Ca2 Zn4 Ge4 Pd2]'
_cell_volume [257.6886]
_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  2  0.0000  0.5000  0.0000  1
  Zn  Zn1  4  0.0005  0.1309  0.5000  1
  Ge  Ge2  4  0.1234  0.2266  0.0000  1
  Pd  Pd3  2  0.0000  0.0000  0.0000  1
]