data_[Tb20Sm4Y12]
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/m]
_cell_length_a [15.1893]
_cell_length_b [11.4711]
_cell_length_c [9.9553]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.0485]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb5SmY3]
_chemical_formula_sum '[Tb20 Sm4 Y12]'
_cell_volume [1327.8363]
_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  0.1503  0.2507  0.7521  1
  Tb  Tb1  4  0.0000  0.2565  0.0000  1
  Tb  Tb2  4  0.2239  0.0000  0.0427  1
  Tb  Tb3  4  0.2248  0.5000  0.2319  1
  Sm  Sm4  4  0.2485  0.5000  0.5936  1
  Y  Y5  4  0.0090  0.5000  0.8203  1
  Y  Y6  4  0.0186  0.0000  0.3589  1
  Y  Y7  2  0.0000  0.0000  0.0000  1
  Y  Y8  2  0.0000  0.5000  0.5000  1
]