data_[Tb6Sm4Sc4]
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 [11.0012]
_cell_length_b [4.9662]
_cell_length_c [7.8529]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3818]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3(SmSc)2]
_chemical_formula_sum '[Tb6 Sm4 Sc4]'
_cell_volume [424.4549]
_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  0.1440  0.5000  0.4298  1.0
  Tb  Tb1  2  0.0000  0.5000  0.0000  1.0
  Sm  Sm2  4  0.0722  0.0000  0.7228  1.0
  Sc  Sc3  4  0.2155  0.0000  0.1400  1.0
]