data_[Tb2Sm6Sc8]
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 [10.9376]
_cell_length_b [7.0794]
_cell_length_c [6.0106]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [TbSm3Sc4]
_chemical_formula_sum '[Tb2 Sm6 Sc8]'
_cell_volume [465.4068]
_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  2  0.0000  0.3619  0.1384  1.0
  Sm  Sm1  4  0.2498  0.3633  0.4900  1.0
  Sm  Sm2  2  0.0000  0.6371  0.6391  1.0
  Sc  Sc3  4  0.2490  0.1115  0.9786  1.0
  Sc  Sc4  2  0.0000  0.1118  0.6504  1.0
  Sc  Sc5  2  0.0000  0.8882  0.1500  1.0
]