data_[Er5Al4Pd1]
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 [P4/mmm]
_cell_length_a [3.5544]
_cell_length_b [3.5544]
_cell_length_c [17.7122]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Er5Al4Pd]
_chemical_formula_sum '[Er5 Al4 Pd1]'
_cell_volume [223.7724]
_cell_formula_units_Z [1]
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  0.5000  0.5000  0.0944  1.0
  Er  Er1  2  0.5000  0.5000  0.2977  1.0
  Er  Er2  1  0.5000  0.5000  0.5000  1.0
  Al  Al3  2  0.0000  0.0000  0.1973  1.0
  Al  Al4  2  0.0000  0.0000  0.3992  1.0
  Pd  Pd5  1  0.0000  0.0000  0.0000  1.0
]