data_[Er22Al18Co8]
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
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [13.7798]
_cell_length_b [20.6169]
_cell_length_c [3.5346]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Er11Al9Co4]
_chemical_formula_sum '[Er22 Al18 Co8]'
_cell_volume [1004.1766]
_cell_formula_units_Z [2]
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  0.2442  0.1701  0.0000  1
  Er  Er1  4  0.0000  0.1648  0.0000  1
  Er  Er2  4  0.0000  0.3754  0.0000  1
  Er  Er3  4  0.1880  0.5000  0.0000  1
  Er  Er4  2  0.0000  0.0000  0.0000  1
  Al  Al5  8  0.1011  0.2687  0.5000  1
  Al  Al6  8  0.1522  0.0685  0.5000  1
  Al  Al7  2  0.0000  0.5000  0.5000  1
  Co  Co8  8  0.1546  0.3985  0.5000  1
]