data_[Tb4Sm12Sc4]
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 [18.1168]
_cell_length_b [4.9592]
_cell_length_c [7.1054]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2130]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbSm3Sc]
_chemical_formula_sum '[Tb4 Sm12 Sc4]'
_cell_volume [626.2020]
_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  4  0.1011  0.5000  0.5497  1.0
  Sm  Sm1  4  0.0028  0.0000  0.7528  1.0
  Sm  Sm2  4  0.1052  0.5000  0.0502  1.0
  Sm  Sm3  4  0.2022  0.0000  0.3474  1.0
  Sc  Sc4  4  0.2017  0.0000  0.8529  1.0
]