data_[Y16Tm6Sc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.9849]
_cell_length_b [9.9611]
_cell_length_c [7.8867]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4646]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y8Tm3Sc]
_chemical_formula_sum '[Y16 Tm6 Sc2]'
_cell_volume [744.0295]
_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
[
  Y  Y0  8  0.0822  0.2487  0.3289  1
  Y  Y1  4  0.1669  0.0000  0.6728  1
  Y  Y2  4  0.1691  0.5000  0.6714  1
  Tm  Tm3  4  0.2500  0.2500  0.0000  1
  Tm  Tm4  2  0.0000  0.5000  0.0000  1
  Sc  Sc5  2  0.0000  0.0000  0.0000  1
]