data_[Tm10Sc2Bi12]
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 [7.6352]
_cell_length_b [13.2218]
_cell_length_c [7.6341]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4836]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm5ScBi6]
_chemical_formula_sum '[Tm10 Sc2 Bi12]'
_cell_volume [726.5390]
_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  4  0.0000  0.1695  0.5000  1.0
  Tm  Tm1  4  0.0000  0.3344  0.0000  1.0
  Tm  Tm2  2  0.0000  0.5000  0.5000  1.0
  Sc  Sc3  2  0.0000  0.0000  0.0000  1.0
  Bi  Bi4  8  0.2451  0.1637  0.2453  1.0
  Bi  Bi5  4  0.2439  0.0000  0.7516  1.0
]