data_[Tm4Sc20Bi12]
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 [14.2535]
_cell_length_b [8.6161]
_cell_length_c [9.9926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.8847]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmSc5Bi3]
_chemical_formula_sum '[Tm4 Sc20 Bi12]'
_cell_volume [1094.5529]
_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  0.1375  0.0000  0.3468  1
  Sc  Sc1  8  0.1113  0.1924  0.7817  1
  Sc  Sc2  4  0.0000  0.3290  0.0000  1
  Sc  Sc3  4  0.0364  0.5000  0.3164  1
  Sc  Sc4  4  0.2089  0.5000  0.9590  1
  Bi  Bi5  4  0.1526  0.5000  0.6438  1
  Bi  Bi6  4  0.2119  0.5000  0.2550  1
  Bi  Bi7  2  0.0000  0.0000  0.0000  1
  Bi  Bi8  2  0.0000  0.0000  0.5000  1
]