data_[Ho12Cu12Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0754]
_cell_length_b [10.2376]
_cell_length_c [15.1803]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ho3Cu3Pd2]
_chemical_formula_sum '[Ho12 Cu12 Pd8]'
_cell_volume [633.3534]
_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
[
  Ho  Ho0  8  0.0000  0.0809  0.6029  1.0
  Ho  Ho1  4  0.0000  0.3536  0.7500  1.0
  Cu  Cu2  8  0.0000  0.3876  0.5342  1.0
  Cu  Cu3  4  0.0000  0.3647  0.2500  1.0
  Pd  Pd4  8  0.0000  0.2123  0.1118  1.0
]