data_[Er4Al12Zn8]
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 [C2/m]
_cell_length_a [15.5190]
_cell_length_b [4.3067]
_cell_length_c [6.7470]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4180]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErAl3Zn2]
_chemical_formula_sum '[Er4 Al12 Zn8]'
_cell_volume [432.5537]
_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  4  0.1164  0.0000  0.1816  1
  Al  Al1  4  0.0671  0.0000  0.6854  1
  Al  Al2  4  0.1204  0.5000  0.5004  1
  Al  Al3  4  0.1978  0.5000  0.9235  1
  Zn  Zn4  4  0.0247  0.5000  0.8411  1
  Zn  Zn5  4  0.2368  0.0000  0.6553  1
]