data_[Tb16Sm4Y2]
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 [16.5800]
_cell_length_b [6.6852]
_cell_length_c [6.6748]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1663]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb8Sm2Y]
_chemical_formula_sum '[Tb16 Sm4 Y2]'
_cell_volume [728.2263]
_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  8  0.0887  0.2628  0.4068  1
  Tb  Tb1  4  0.0885  0.5000  0.9068  1
  Tb  Tb2  4  0.2436  0.0000  0.3073  1
  Sm  Sm3  4  0.2008  0.0000  0.7989  1
  Y  Y4  2  0.0000  0.0000  0.0000  1
]