data_[Tb12Sm2Y12]
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
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.1094]
_cell_length_b [11.2042]
_cell_length_c [10.9845]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Tb6SmY6]
_chemical_formula_sum '[Tb12 Sm2 Y12]'
_cell_volume [874.9663]
_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  0.0000  0.0000  0.3312  1
  Tb  Tb1  4  0.0000  0.2536  0.5000  1
  Tb  Tb2  4  0.0000  0.3589  0.0000  1
  Sm  Sm3  2  0.0000  0.0000  0.0000  1
  Y  Y4  8  0.2500  0.2500  0.2238  1
  Y  Y5  4  0.0000  0.5000  0.3101  1
]