data_[Tm16Sc4Sn2]
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 [17.3882]
_cell_length_b [4.8078]
_cell_length_c [7.6552]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0101]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8Sc2Sn]
_chemical_formula_sum '[Tm16 Sc4 Sn2]'
_cell_volume [615.1423]
_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  4  0.0452  0.0000  0.7247  1.0
  Tm  Tm1  4  0.0937  0.5000  0.4451  1.0
  Tm  Tm2  4  0.1389  0.0000  0.1832  1.0
  Tm  Tm3  4  0.1817  0.5000  0.9091  1.0
  Sc  Sc4  4  0.2231  0.0000  0.6305  1.0
  Sn  Sn5  2  0.0000  0.5000  0.0000  1.0
]