data_[Tb4Sm4Y16]
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 [10.7783]
_cell_length_b [6.2195]
_cell_length_c [12.1722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1674]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TbSmY4]
_chemical_formula_sum '[Tb4 Sm4 Y16]'
_cell_volume [779.6172]
_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  0.2500  0.2500  0.0000  1.0
  Sm  Sm1  4  0.0000  0.0828  0.7500  1.0
  Y  Y2  8  0.0833  0.2502  0.4998  1.0
  Y  Y3  8  0.1670  0.4176  0.2499  1.0
]