data_[Mn18Ge3Pd36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.9894]
_cell_length_b [9.9894]
_cell_length_c [9.5775]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Mn6GePd12]
_chemical_formula_sum '[Mn18 Ge3 Pd36]'
_cell_volume [827.6822]
_cell_formula_units_Z [3]
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
[
  Mn  Mn0  18  0.0103  0.7959  0.5056  1
  Ge  Ge1  3  0.0000  0.0000  0.0000  1
  Pd  Pd2  18  0.0368  0.5441  0.6312  1
  Pd  Pd3  18  0.0866  0.1894  0.2514  1
]