data_[Er8Sc4Al4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.1895]
_cell_length_b [6.6323]
_cell_length_c [11.5300]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Er2ScAl]
_chemical_formula_sum '[Er8 Sc4 Al4]'
_cell_volume [396.8444]
_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  0.0000  0.2388  0.4163  1.0
  Er  Er1  2  0.0000  0.0000  0.1727  1.0
  Er  Er2  2  0.5000  0.0000  0.8248  1.0
  Sc  Sc3  4  0.5000  0.2377  0.5858  1.0
  Al  Al4  2  0.0000  0.0000  0.6639  1.0
  Al  Al5  2  0.5000  0.0000  0.3342  1.0
]