data_[Er16Al4Cu2]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0902]
_cell_length_b [4.9975]
_cell_length_c [6.5651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9202]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er8Al2Cu]
_chemical_formula_sum '[Er16 Al4 Cu2]'
_cell_volume [578.4972]
_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  4  0.0205  0.0000  0.7741  1
  Er  Er1  4  0.0937  0.5000  0.4587  1
  Er  Er2  4  0.1515  0.5000  0.9704  1
  Er  Er3  4  0.2079  0.0000  0.3004  1
  Al  Al4  4  0.1888  0.0000  0.7491  1
  Cu  Cu5  2  0.0000  0.5000  0.0000  1
]