data_[Ca6Ge10Pd12]
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 [Pmmn]
_cell_length_a [4.2089]
_cell_length_b [13.0192]
_cell_length_c [9.7180]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ca3Ge5Pd6]
_chemical_formula_sum '[Ca6 Ge10 Pd12]'
_cell_volume [532.5111]
_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  0.0000  0.3337  0.7530  1
  Ca  Ca1  2  0.0000  0.0000  0.7470  1
  Ge  Ge2  4  0.0000  0.1155  0.4740  1
  Ge  Ge3  4  0.0000  0.3319  0.1468  1
  Ge  Ge4  2  0.0000  0.0000  0.1413  1
  Pd  Pd5  4  0.0000  0.1669  0.9961  1
  Pd  Pd6  4  0.0000  0.3013  0.4046  1
  Pd  Pd7  2  0.0000  0.5000  0.0068  1
  Pd  Pd8  2  0.0000  0.5000  0.5090  1
]