data_[Pr4Ge4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  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 [10.5685]
_cell_length_b [4.5288]
_cell_length_c [7.4877]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.9133]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrGePd]
_chemical_formula_sum '[Pr4 Ge4 Pd4]'
_cell_volume [262.4746]
_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
[
  Pr  Pr0  4  0.0374  0.5000  0.2981  1.0
  Ge  Ge1  4  0.1604  0.0000  0.1086  1.0
  Pd  Pd2  4  0.1831  0.0000  0.7264  1.0
]