data_[Tm2Sc10Bi12]
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 [7.4359]
_cell_length_b [12.8862]
_cell_length_c [7.4417]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4846]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmSc5Bi6]
_chemical_formula_sum '[Tm2 Sc10 Bi12]'
_cell_volume [672.2286]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1.0
  Sc  Sc1  4  0.0000  0.1632  0.5000  1.0
  Sc  Sc2  4  0.0000  0.3320  0.0000  1.0
  Sc  Sc3  2  0.0000  0.5000  0.5000  1.0
  Bi  Bi4  8  0.2447  0.3301  0.7449  1.0
  Bi  Bi5  4  0.2431  0.5000  0.2514  1.0
]