data_[Tm16Al4Re2]
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 [C2/m]
_cell_length_a [17.0909]
_cell_length_b [5.1720]
_cell_length_c [6.8843]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0698]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8Al2Re]
_chemical_formula_sum '[Tm16 Al4 Re2]'
_cell_volume [567.8470]
_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
[
  Tm  Tm0  4  0.0153  0.0000  0.7829  1.0
  Tm  Tm1  4  0.0995  0.5000  0.4238  1.0
  Tm  Tm2  4  0.1535  0.5000  0.9382  1.0
  Tm  Tm3  4  0.1964  0.0000  0.2713  1.0
  Al  Al4  4  0.1804  0.0000  0.6875  1.0
  Re  Re5  2  0.0000  0.5000  0.0000  1.0
]