data_[Tm12Be4Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Be  1.5700  1.0500  0.5900
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.0357]
_cell_length_b [3.9770]
_cell_length_c [11.2476]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Tm3BeSi2]
_chemical_formula_sum '[Tm12 Be4 Si8]'
_cell_volume [493.6489]
_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  0.0621  0.2500  0.6218  1
  Tm  Tm1  4  0.1227  0.7500  0.0599  1
  Tm  Tm2  4  0.2051  0.2500  0.2974  1
  Be  Be3  4  0.1345  0.2500  0.8646  1
  Si  Si4  4  0.0314  0.7500  0.8191  1
  Si  Si5  4  0.1935  0.7500  0.4872  1
]