data_[Ca6Ge8Pd4]
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/m]
_cell_length_a [10.6738]
_cell_length_b [4.4408]
_cell_length_c [8.5158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5166]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca3(Ge2Pd)2]
_chemical_formula_sum '[Ca6 Ge8 Pd4]'
_cell_volume [386.9958]
_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  0.1262  0.5000  0.6924  1.0
  Ca  Ca1  2  0.0000  0.0000  0.0000  1.0
  Ge  Ge2  4  0.0991  0.0000  0.4201  1.0
  Ge  Ge3  4  0.2190  0.5000  0.0672  1.0
  Pd  Pd4  4  0.1720  0.5000  0.3386  1.0
]