data_[Mn6Cu18Pd36]
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 [R-3]
_cell_length_a [9.5623]
_cell_length_b [9.5623]
_cell_length_c [11.3235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Mn(CuPd2)3]
_chemical_formula_sum '[Mn6 Cu18 Pd36]'
_cell_volume [896.6852]
_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  3  0.0000  0.0000  0.0000  1
  Mn  Mn1  3  0.0000  0.0000  0.5000  1
  Cu  Cu2  18  0.0383  0.5793  0.7014  1
  Pd  Pd3  18  0.0449  0.8592  0.8078  1
  Pd  Pd4  18  0.0607  0.4599  0.0902  1
]