data_[Tb4Sm16Sc2]
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 [C2/m]
_cell_length_a [16.5310]
_cell_length_b [6.7425]
_cell_length_c [6.6787]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9935]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Sm8Sc]
_chemical_formula_sum '[Tb4 Sm16 Sc2]'
_cell_volume [728.1594]
_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  0.1869  0.0000  0.8087  1
  Sm  Sm1  8  0.0816  0.2592  0.3893  1
  Sm  Sm2  4  0.0955  0.5000  0.9170  1
  Sm  Sm3  4  0.2453  0.0000  0.3277  1
  Sc  Sc4  2  0.0000  0.0000  0.0000  1
]