data_[Tb12Sm4Sc24]
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 [Cmc2_1]
_cell_length_a [10.5012]
_cell_length_b [17.9285]
_cell_length_c [5.8891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb3SmSc6]
_chemical_formula_sum '[Tb12 Sm4 Sc24]'
_cell_volume [1108.7398]
_cell_formula_units_Z [4]
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  8  0.1783  0.1041  0.4689  1
  Tb  Tb1  4  0.0000  0.3998  0.0642  1
  Sm  Sm2  4  0.0000  0.2147  0.1770  1
  Sc  Sc3  8  0.1718  0.4450  0.5110  1
  Sc  Sc4  8  0.2341  0.2169  0.8600  1
  Sc  Sc5  4  0.0000  0.0504  0.9327  1
  Sc  Sc6  4  0.0000  0.2965  0.6316  1
]