data_[Er6Al9Cu36Pd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.2259]
_cell_length_b [5.2259]
_cell_length_c [35.9222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Er2Al3Cu12Pd]
_chemical_formula_sum '[Er6 Al9 Cu36 Pd3]'
_cell_volume [849.6158]
_cell_formula_units_Z [3]
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
[
  Er  Er0  6  0.0000  0.0000  0.3566  1
  Al  Al1  9  0.0000  0.5000  0.5000  1
  Cu  Cu2  18  0.0028  0.5014  0.3908  1
  Cu  Cu3  18  0.0157  0.5078  0.1111  1
  Pd  Pd4  3  0.0000  0.0000  0.0000  1
]