data_[Er8Al4Cu8]
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/c]
_cell_length_a [9.5246]
_cell_length_b [5.4961]
_cell_length_c [7.8238]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7866]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Er2AlCu2]
_chemical_formula_sum '[Er8 Al4 Cu8]'
_cell_volume [397.7607]
_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  0.1494  0.3558  0.1505  1.0
  Al  Al1  4  0.0000  0.1512  0.7500  1.0
  Cu  Cu2  8  0.1351  0.1362  0.4987  1.0
]