data_[Tm16Sc4Cd2]
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
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7443]
_cell_length_b [5.3993]
_cell_length_c [6.2147]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.7633]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8Sc2Cd]
_chemical_formula_sum '[Tm16 Sc4 Cd2]'
_cell_volume [626.7926]
_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  0.0462  0.0000  0.2637  1.0
  Tm  Tm1  4  0.0806  0.5000  0.5958  1.0
  Tm  Tm2  4  0.1563  0.0000  0.7974  1.0
  Tm  Tm3  4  0.1635  0.5000  0.1248  1.0
  Sc  Sc4  4  0.2428  0.0000  0.3390  1.0
  Cd  Cd5  2  0.0000  0.5000  0.0000  1.0
]