data_[Mn2Cu4Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.3577]
_cell_length_b [8.0516]
_cell_length_c [4.8600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [MnCu2Pd3]
_chemical_formula_sum '[Mn2 Cu4 Pd6]'
_cell_volume [170.5204]
_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  2  0.0000  0.0950  0.4561  1.0
  Cu  Cu1  2  0.0000  0.2466  0.9470  1.0
  Cu  Cu2  2  0.5000  0.4150  0.1166  1.0
  Pd  Pd3  2  0.0000  0.4212  0.4177  1.0
  Pd  Pd4  2  0.5000  0.0873  0.1266  1.0
  Pd  Pd5  2  0.5000  0.2618  0.6373  1.0
]