data_[Mn4Cu12Pd4]
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 [C2/m]
_cell_length_a [12.1863]
_cell_length_b [4.3397]
_cell_length_c [5.1468]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8716]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MnCu3Pd]
_chemical_formula_sum '[Mn4 Cu12 Pd4]'
_cell_volume [263.0693]
_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
[
  Mn  Mn0  4  0.1950  0.0000  0.1827  1.0
  Cu  Cu1  4  0.0061  0.0000  0.7547  1.0
  Cu  Cu2  4  0.1045  0.5000  0.9316  1.0
  Cu  Cu3  4  0.1961  0.0000  0.6892  1.0
  Pd  Pd4  4  0.1059  0.5000  0.4312  1.0
]