data_[Tb1Sm9Sc2]
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 [P4/mmm]
_cell_length_a [5.0352]
_cell_length_b [5.0352]
_cell_length_c [15.1021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [TbSm9Sc2]
_chemical_formula_sum '[Tb1 Sm9 Sc2]'
_cell_volume [382.8959]
_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  0.0000  1
  Sm  Sm1  4  0.0000  0.5000  0.1712  1
  Sm  Sm2  2  0.0000  0.5000  0.5000  1
  Sm  Sm3  2  0.5000  0.5000  0.3361  1
  Sm  Sm4  1  0.5000  0.5000  0.0000  1
  Sc  Sc5  2  0.0000  0.0000  0.3355  1
]