data_[Tm20Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.2120]
_cell_length_b [6.4060]
_cell_length_c [8.0958]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.0037]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tm5Bi2]
_chemical_formula_sum '[Tm20 Bi8]'
_cell_volume [836.1757]
_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  8  0.1079  0.1216  0.9434  1
  Tm  Tm1  8  0.2233  0.3699  0.3035  1
  Tm  Tm2  4  0.0000  0.3163  0.2500  1
  Bi  Bi3  8  0.0991  0.3382  0.5908  1
]