data_[Tm2Sc14In8]
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/m]
_cell_length_a [13.7062]
_cell_length_b [5.2998]
_cell_length_c [9.9902]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2694]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmSc7In4]
_chemical_formula_sum '[Tm2 Sc14 In8]'
_cell_volume [599.7005]
_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
  Sc  Sc1  4  0.0608  0.0000  0.3942  1
  Sc  Sc2  4  0.2145  0.0000  0.8745  1
  Sc  Sc3  4  0.2146  0.5000  0.6536  1
  Sc  Sc4  2  0.0000  0.5000  0.0000  1
  In  In5  4  0.0664  0.5000  0.7658  1
  In  In6  4  0.1834  0.5000  0.3342  1
]