data_[Er6Al6Pd6]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.0180]
_cell_length_b [4.2584]
_cell_length_c [11.8740]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.5865]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ErAlPd]
_chemical_formula_sum '[Er6 Al6 Pd6]'
_cell_volume [354.7213]
_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
[
  Er  Er0  2  0.0343  0.2500  0.2899  1
  Er  Er1  2  0.3451  0.7500  0.9179  1
  Er  Er2  2  0.4690  0.7500  0.6260  1
  Al  Al3  2  0.0024  0.2500  0.9170  1
  Al  Al4  2  0.1450  0.2500  0.5428  1
  Al  Al5  2  0.3613  0.7500  0.2027  1
  Pd  Pd6  2  0.2294  0.7500  0.4242  1
  Pd  Pd7  2  0.2332  0.2500  0.0907  1
  Pd  Pd8  2  0.2581  0.2500  0.7559  1
]