data_[Tb2Sm6Y8]
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 [11.4261]
_cell_length_b [7.3382]
_cell_length_c [6.3911]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [TbSm3Y4]
_chemical_formula_sum '[Tb2 Sm6 Y8]'
_cell_volume [535.8740]
_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  2  0.0000  0.6265  0.8507  1.0
  Sm  Sm1  4  0.2499  0.3746  0.0207  1.0
  Sm  Sm2  2  0.0000  0.3744  0.3509  1.0
  Y  Y3  4  0.2493  0.8761  0.0176  1.0
  Y  Y4  2  0.0000  0.1239  0.8532  1.0
  Y  Y5  2  0.0000  0.8759  0.3533  1.0
]