data_[Tm4Re8Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Re  1.9000  1.3500  0.7125
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.1206]
_cell_length_b [4.0545]
_cell_length_c [4.0891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1511]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm(ReSi)2]
_chemical_formula_sum '[Tm4 Re8 Si8]'
_cell_volume [343.5522]
_cell_formula_units_Z [4]
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  0.1633  0.0000  0.4114  1
  Re  Re1  4  0.0390  0.0000  0.7890  1
  Re  Re2  4  0.0418  0.5000  0.2921  1
  Si  Si3  4  0.1096  0.5000  0.8605  1
  Si  Si4  4  0.2230  0.5000  0.9618  1
]