data_[Tb8Tm18Al22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tm  1.2500  1.7500  1.0950
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [15.2176]
_cell_length_b [22.3113]
_cell_length_c [3.3154]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Tb4Tm9Al11]
_chemical_formula_sum '[Tb8 Tm18 Al22]'
_cell_volume [1125.6650]
_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
[
  Tb  Tb0  8  0.1783  0.4178  0.5000  1
  Tm  Tm1  8  0.1064  0.0980  0.5000  1
  Tm  Tm2  8  0.1116  0.2771  0.5000  1
  Tm  Tm3  2  0.0000  0.5000  0.5000  1
  Al  Al4  8  0.2239  0.1876  0.0000  1
  Al  Al5  4  0.0000  0.1896  0.0000  1
  Al  Al6  4  0.0000  0.3794  0.0000  1
  Al  Al7  4  0.1940  0.0000  0.0000  1
  Al  Al8  2  0.0000  0.0000  0.0000  1
]