data_[Ca2Ge10Pd14]
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 [Imm2]
_cell_length_a [5.3882]
_cell_length_b [9.2565]
_cell_length_c [8.7470]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [CaGe5Pd7]
_chemical_formula_sum '[Ca2 Ge10 Pd14]'
_cell_volume [436.2672]
_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  0.0000  0.0013  1
  Ge  Ge1  8  0.2453  0.2653  0.7461  1
  Ge  Ge2  2  0.0000  0.5000  0.2747  1
  Pd  Pd3  4  0.0000  0.2876  0.4862  1
  Pd  Pd4  4  0.0000  0.3429  0.0143  1
  Pd  Pd5  2  0.0000  0.0000  0.3435  1
  Pd  Pd6  2  0.0000  0.0000  0.6700  1
  Pd  Pd7  2  0.0000  0.5000  0.7253  1
]