data_[Tb4Er16Al4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Er  1.2400  1.7500  1.0300
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.6540]
_cell_length_b [13.7023]
_cell_length_c [6.1691]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4835]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TbEr4Al]
_chemical_formula_sum '[Tb4 Er16 Al4]'
_cell_volume [693.7928]
_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
[
  Tb  Tb0  4  0.0000  0.4080  0.2500  1
  Er  Er1  8  0.0995  0.1848  0.5437  1
  Er  Er2  8  0.2209  0.3819  0.8772  1
  Al  Al3  4  0.0000  0.0006  0.7500  1
]