data_[Er24Al4Ni8]
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 [Immm]
_cell_length_a [9.1199]
_cell_length_b [9.4486]
_cell_length_c [9.9302]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Er6AlNi2]
_chemical_formula_sum '[Er24 Al4 Ni8]'
_cell_volume [855.6917]
_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  8  0.0000  0.1967  0.2371  1.0
  Er  Er1  8  0.1935  0.5000  0.1752  1.0
  Er  Er2  8  0.2147  0.6816  0.5000  1.0
  Al  Al3  2  0.0000  0.0000  0.0000  1.0
  Al  Al4  2  0.0000  0.0000  0.5000  1.0
  Ni  Ni5  4  0.0000  0.3436  0.0000  1.0
  Ni  Ni6  4  0.0000  0.5000  0.3781  1.0
]