data_[Tm4Sc12Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.6575]
_cell_length_b [4.2840]
_cell_length_c [9.1104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8823]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmSc3Bi2]
_chemical_formula_sum '[Tm4 Sc12 Bi8]'
_cell_volume [634.9254]
_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  0.1110  0.0000  0.1130  1
  Sc  Sc1  4  0.0648  0.0000  0.6745  1
  Sc  Sc2  4  0.1407  0.5000  0.4892  1
  Sc  Sc3  4  0.1911  0.5000  0.8969  1
  Bi  Bi4  4  0.0087  0.5000  0.8276  1
  Bi  Bi5  4  0.2500  0.0000  0.7153  1
]