data_[Ca4Ge4Pd4]
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 [10.5036]
_cell_length_b [4.4995]
_cell_length_c [7.2293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.0680]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaGePd]
_chemical_formula_sum '[Ca4 Ge4 Pd4]'
_cell_volume [249.6025]
_cell_formula_units_Z [4]
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  0.0546  0.0000  0.8127  1.0
  Ge  Ge1  4  0.1614  0.5000  0.6038  1.0
  Pd  Pd2  4  0.1841  0.5000  0.2610  1.0
]