data_[Tm2Sc10Sb12]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2896]
_cell_length_b [12.6242]
_cell_length_c [7.2895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3413]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmSc5Sb6]
_chemical_formula_sum '[Tm2 Sc10 Sb12]'
_cell_volume [632.9607]
_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  0.1636  0.5000  1.0
  Sc  Sc2  4  0.0000  0.3322  0.0000  1.0
  Sc  Sc3  2  0.0000  0.5000  0.5000  1.0
  Sb  Sb4  8  0.2448  0.3300  0.7450  1.0
  Sb  Sb5  4  0.2434  0.5000  0.2519  1.0
]