data_[Mn6Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [13.5041]
_cell_length_b [2.9777]
_cell_length_c [4.5607]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [MnPd]
_chemical_formula_sum '[Mn6 Pd6]'
_cell_volume [183.3894]
_cell_formula_units_Z [6]
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  4  0.0831  0.0000  0.7818  1.0
  Mn  Mn1  2  0.2500  0.0000  0.3119  1.0
  Pd  Pd2  4  0.0839  0.5000  0.2828  1.0
  Pd  Pd3  2  0.2500  0.5000  0.8140  1.0
]