data_[Tb12Sm8Y20]
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 [C2/c]
_cell_length_a [10.7215]
_cell_length_b [16.1602]
_cell_length_c [9.3621]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9038]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tb3Sm2Y5]
_chemical_formula_sum '[Tb12 Sm8 Y20]'
_cell_volume [1330.2855]
_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  0.1536  0.3775  0.5492  1
  Tb  Tb1  4  0.0000  0.0245  0.2500  1
  Sm  Sm2  8  0.1435  0.1247  0.0447  1
  Y  Y3  8  0.2414  0.3789  0.2356  1
  Y  Y4  4  0.0000  0.2287  0.2500  1
  Y  Y5  4  0.0000  0.2743  0.7500  1
  Y  Y6  4  0.0000  0.4735  0.7500  1
]