data_[Tm4Al6Re2]
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 [P6_3/mmc]
_cell_length_a [5.4527]
_cell_length_b [5.4527]
_cell_length_c [8.8975]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Tm2Al3Re]
_chemical_formula_sum '[Tm4 Al6 Re2]'
_cell_volume [229.0941]
_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  0.3333  0.6667  0.5511  1
  Al  Al1  6  0.1627  0.3255  0.2500  1
  Re  Re2  2  0.0000  0.0000  0.0000  1
]