data_[Er9Al3Ni24]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.9584]
_cell_length_b [4.9584]
_cell_length_c [24.3550]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Er3AlNi8]
_chemical_formula_sum '[Er9 Al3 Ni24]'
_cell_volume [518.5579]
_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  0.3767  1
  Er  Er1  3  0.0000  0.0000  0.5048  1
  Er  Er2  3  0.0000  0.0000  0.9932  1
  Al  Al3  3  0.0000  0.0000  0.8701  1
  Ni  Ni4  9  0.0015  0.5008  0.9365  1
  Ni  Ni5  9  0.0028  0.5014  0.4396  1
  Ni  Ni6  3  0.0000  0.0000  0.1885  1
  Ni  Ni7  3  0.0000  0.0000  0.6883  1
]