data_[Sm4Tm16Sc6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  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 [14.4960]
_cell_length_b [8.6266]
_cell_length_c [6.5086]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.9921]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2Tm8Sc3]
_chemical_formula_sum '[Sm4 Tm16 Sc6]'
_cell_volume [806.0038]
_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
[
  Sm  Sm0  4  0.2042  0.0000  0.2748  1
  Tm  Tm1  8  0.1081  0.3176  0.4238  1
  Tm  Tm2  4  0.0869  0.5000  0.8848  1
  Tm  Tm3  4  0.1939  0.0000  0.7795  1
  Sc  Sc4  4  0.0000  0.1650  0.0000  1
  Sc  Sc5  2  0.0000  0.0000  0.5000  1
]