data_[Tb4Sm2Sc3]
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 [P3m1]
_cell_length_a [3.5106]
_cell_length_b [3.5106]
_cell_length_c [25.6099]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Tb4Sm2Sc3]
_chemical_formula_sum '[Tb4 Sm2 Sc3]'
_cell_volume [273.3363]
_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  0.5685  1.0
  Tb  Tb1  1  0.0000  0.0000  0.7760  1.0
  Tb  Tb2  1  0.3333  0.6667  0.2440  1.0
  Tb  Tb3  1  0.3333  0.6667  0.4529  1.0
  Sm  Sm4  1  0.0000  0.0000  0.1260  1.0
  Sm  Sm5  1  0.0000  0.0000  0.9147  1.0
  Sc  Sc6  1  0.0000  0.0000  0.3483  1.0
  Sc  Sc7  1  0.3333  0.6667  0.0189  1.0
  Sc  Sc8  1  0.3333  0.6667  0.6734  1.0
]