data_[Tm2Sc10Sn12]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.3359]
_cell_length_b [13.2745]
_cell_length_c [8.3675]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1974]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmSc5Sn6]
_chemical_formula_sum '[Tm2 Sc10 Sn12]'
_cell_volume [581.4070]
_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  0.3301  0.0000  1.0
  Sc  Sc2  4  0.0000  0.3370  0.5000  1.0
  Sc  Sc3  2  0.0000  0.0000  0.5000  1.0
  Sn  Sn4  8  0.0040  0.1694  0.7444  1.0
  Sn  Sn5  4  0.0149  0.5000  0.2487  1.0
]