data_[Tm4Sc16In4]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.8185]
_cell_length_b [5.7011]
_cell_length_c [11.0357]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1217]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TmSc4In]
_chemical_formula_sum '[Tm4 Sc16 In4]'
_cell_volume [593.4449]
_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  0.2500  0.2500  0.0000  1.0
  Sc  Sc1  8  0.0817  0.2468  0.5023  1.0
  Sc  Sc2  8  0.1639  0.4180  0.2504  1.0
  In  In3  4  0.0000  0.0771  0.7500  1.0
]