data_[Tb6Sm2Y2Sc2]
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
  Y  1.2200  1.8000  1.0400
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.8934]
_cell_length_b [4.9547]
_cell_length_c [9.9786]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4127]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb3SmYSc]
_chemical_formula_sum '[Tb6 Sm2 Y2 Sc2]'
_cell_volume [370.2815]
_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  0.1676  0.7500  0.0440  1.0
  Tb  Tb1  2  0.1699  0.2500  0.7887  1.0
  Tb  Tb2  2  0.1754  0.7500  0.5415  1.0
  Sm  Sm3  2  0.4997  0.7500  0.8714  1.0
  Y  Y4  2  0.1732  0.2500  0.2971  1.0
  Sc  Sc5  2  0.4992  0.7500  0.3799  1.0
]