data_[Er4Al12Pd4]
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 [Pnma]
_cell_length_a [8.3051]
_cell_length_b [4.1351]
_cell_length_c [10.9430]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [ErAl3Pd]
_chemical_formula_sum '[Er4 Al12 Pd4]'
_cell_volume [375.8060]
_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
[
  Er  Er0  4  0.1838  0.2500  0.9913  1.0
  Al  Al1  4  0.0662  0.2500  0.4103  1.0
  Al  Al2  4  0.1088  0.7500  0.2036  1.0
  Al  Al3  4  0.1404  0.7500  0.7854  1.0
  Pd  Pd4  4  0.1048  0.2500  0.6407  1.0
]