data_[Ca4Be2Ge2Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Be  1.5700  1.0500  0.5900
  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 [10.4085]
_cell_length_b [5.9478]
_cell_length_c [7.0059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.4810]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2BeGePd6]
_chemical_formula_sum '[Ca4 Be2 Ge2 Pd12]'
_cell_volume [373.7787]
_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  0.2263  0.5000  0.1839  1.0
  Be  Be1  2  0.0000  0.5000  0.5000  1.0
  Ge  Ge2  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd3  8  0.0214  0.2362  0.3070  1.0
  Pd  Pd4  4  0.2410  0.5000  0.6804  1.0
]