data_[Mn2Pd8Au4]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.9170]
_cell_length_b [7.4778]
_cell_length_c [7.4946]
_cell_angle_alpha [60.2453]
_cell_angle_beta [83.7806]
_cell_angle_gamma [70.9798]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Mn(Pd2Au)2]
_chemical_formula_sum '[Mn2 Pd8 Au4]'
_cell_volume [225.6892]
_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
[
  Mn  Mn0  1  0.2944  0.3340  0.3684  1.0
  Mn  Mn1  1  0.7913  0.1217  0.9944  1.0
  Pd  Pd2  1  0.2813  0.9187  0.6418  1.0
  Pd  Pd3  1  0.2844  0.7688  0.0693  1.0
  Pd  Pd4  1  0.2861  0.6202  0.4978  1.0
  Pd  Pd5  1  0.2866  0.1953  0.7888  1.0
  Pd  Pd6  1  0.7813  0.8479  0.8550  1.0
  Pd  Pd7  1  0.7815  0.9880  0.4257  1.0
  Pd  Pd8  1  0.7838  0.4071  0.1431  1.0
  Pd  Pd9  1  0.7876  0.2661  0.5697  1.0
  Au  Au10  1  0.2831  0.0520  0.2188  1.0
  Au  Au11  1  0.2848  0.4825  0.9326  1.0
  Au  Au12  1  0.7835  0.5534  0.7134  1.0
  Au  Au13  1  0.7903  0.6943  0.2812  1.0
]