data_[Tb6Sm2Y8]
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 [Pmn2_1]
_cell_length_a [11.3388]
_cell_length_b [7.3321]
_cell_length_c [6.3712]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Tb3SmY4]
_chemical_formula_sum '[Tb6 Sm2 Y8]'
_cell_volume [529.6870]
_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  0.2498  0.3749  0.0205  1.0
  Tb  Tb1  2  0.0000  0.3751  0.3507  1.0
  Sm  Sm2  2  0.0000  0.6246  0.8502  1.0
  Y  Y3  4  0.2491  0.1250  0.5177  1.0
  Y  Y4  2  0.0000  0.1250  0.8541  1.0
  Y  Y5  2  0.0000  0.8751  0.3531  1.0
]