data_[Tm12Al120Re24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Al  1.6100  1.2500  0.6750
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [9.3051]
_cell_length_b [10.3263]
_cell_length_c [26.9374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tm(Al5Re)2]
_chemical_formula_sum '[Tm12 Al120 Re24]'
_cell_volume [2588.3460]
_cell_formula_units_Z [12]
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
[
  Tm  Tm0  8  0.0000  0.1240  0.5847  1
  Tm  Tm1  4  0.0000  0.3830  0.7500  1
  Al  Al2  16  0.1509  0.3781  0.0807  1
  Al  Al3  16  0.2212  0.2529  0.6715  1
  Al  Al4  16  0.2479  0.3719  0.5830  1
  Al  Al5  8  0.0000  0.0938  0.6996  1
  Al  Al6  8  0.0000  0.1245  0.1459  1
  Al  Al7  8  0.0000  0.1646  0.0340  1
  Al  Al8  8  0.0000  0.3701  0.1775  1
  Al  Al9  8  0.0000  0.3772  0.5220  1
  Al  Al10  8  0.0000  0.4024  0.6339  1
  Al  Al11  8  0.1496  0.1111  0.2500  1
  Al  Al12  8  0.2058  0.0000  0.0000  1
  Al  Al13  8  0.2071  0.3891  0.2500  1
  Re  Re14  16  0.2481  0.4968  0.1631  1
  Re  Re15  8  0.2500  0.2500  0.0000  1
]