data_[Tb5Sm5Sc1]
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-6m2]
_cell_length_a [6.0770]
_cell_length_b [6.0770]
_cell_length_c [11.5744]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Tb5Sm5Sc]
_chemical_formula_sum '[Tb5 Sm5 Sc1]'
_cell_volume [370.1812]
_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  3  0.0029  0.5014  0.5000  1
  Tb  Tb1  2  0.6667  0.3333  0.2649  1
  Sm  Sm2  2  0.0000  0.0000  0.3093  1
  Sm  Sm3  2  0.3333  0.6667  0.1548  1
  Sm  Sm4  1  0.6667  0.3333  0.0000  1
  Sc  Sc5  1  0.0000  0.0000  0.0000  1
]