data_[Tb1Sm10Sc6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [9.4898]
_cell_length_b [9.4898]
_cell_length_c [6.7070]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [162]
_chemical_formula_structural [Tb(Sm5Sc3)2]
_chemical_formula_sum '[Tb1 Sm10 Sc6]'
_cell_volume [523.0829]
_cell_formula_units_Z [1]
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
[
  Tb  Tb0  1  0.0000  0.0000  0.5000  1
  Sm  Sm1  6  0.0000  0.2831  0.8228  1
  Sm  Sm2  2  0.3333  0.6667  0.5000  1
  Sm  Sm3  2  0.3333  0.6667  0.0000  1
  Sc  Sc4  6  0.0000  0.3603  0.3276  1
]