data_[Er9Al3Cu24]
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
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.1415]
_cell_length_b [5.1415]
_cell_length_c [25.2291]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Er3AlCu8]
_chemical_formula_sum '[Er9 Al3 Cu24]'
_cell_volume [577.5692]
_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  3  0.0000  0.0000  0.0066  1.0
  Er  Er1  3  0.0000  0.0000  0.4954  1.0
  Er  Er2  3  0.0000  0.0000  0.6211  1.0
  Al  Al3  3  0.0000  0.0000  0.1311  1.0
  Cu  Cu4  9  0.1678  0.3356  0.8941  1.0
  Cu  Cu5  9  0.1687  0.3375  0.3964  1.0
  Cu  Cu6  3  0.0000  0.0000  0.3127  1.0
  Cu  Cu7  3  0.0000  0.0000  0.8115  1.0
]