data_[Er16Tm4Al2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.9217]
_cell_length_b [5.4085]
_cell_length_c [6.3199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.1199]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er8Tm2Al]
_chemical_formula_sum '[Er16 Tm4 Al2]'
_cell_volume [645.0912]
_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  0.0432  0.0000  0.2547  1
  Er  Er1  4  0.0783  0.5000  0.6012  1
  Er  Er2  4  0.1549  0.0000  0.8090  1
  Er  Er3  4  0.1582  0.5000  0.1221  1
  Tm  Tm4  4  0.2417  0.0000  0.3337  1
  Al  Al5  2  0.0000  0.5000  0.0000  1
]