data_[Tb6Sm2Sc8]
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 [Pmn2_1]
_cell_length_a [10.8500]
_cell_length_b [6.9954]
_cell_length_c [6.0158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Tb3SmSc4]
_chemical_formula_sum '[Tb6 Sm2 Sc8]'
_cell_volume [456.5969]
_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
[
  Tb  Tb0  4  0.2498  0.6355  0.9872  1
  Tb  Tb1  2  0.0000  0.6351  0.6410  1
  Sm  Sm2  2  0.0000  0.3653  0.1418  1
  Sc  Sc3  4  0.2490  0.8851  0.4782  1
  Sc  Sc4  2  0.0000  0.1144  0.6507  1
  Sc  Sc5  2  0.0000  0.8853  0.1510  1
]