data_[Tm4Sc8Sb16]
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 [Cmcm]
_cell_length_a [4.1976]
_cell_length_b [10.9233]
_cell_length_c [15.9649]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tm(ScSb2)2]
_chemical_formula_sum '[Tm4 Sc8 Sb16]'
_cell_volume [732.0113]
_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  0.0000  0.4335  0.2500  1
  Sc  Sc1  8  0.0000  0.1545  0.0748  1
  Sb  Sb2  8  0.0000  0.1570  0.6164  1
  Sb  Sb3  4  0.0000  0.1441  0.2500  1
  Sb  Sb4  4  0.0000  0.5000  0.0000  1
]