data_[Er12Al12Zn8]
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
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4115]
_cell_length_b [10.5201]
_cell_length_c [14.6224]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Er3Al3Zn2]
_chemical_formula_sum '[Er12 Al12 Zn8]'
_cell_volume [678.6155]
_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  0.0877  0.6111  1
  Er  Er1  4  0.0000  0.3603  0.7500  1
  Al  Al2  8  0.0000  0.3849  0.5391  1
  Al  Al3  4  0.0000  0.3470  0.2500  1
  Zn  Zn4  8  0.0000  0.2069  0.1013  1
]