data_[Tb8Sm6Y2]
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 [11.5036]
_cell_length_b [7.3013]
_cell_length_c [6.3422]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Tb4Sm3Y]
_chemical_formula_sum '[Tb8 Sm6 Y2]'
_cell_volume [532.6873]
_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  0.2493  0.8767  0.0199  1.0
  Tb  Tb1  2  0.0000  0.1240  0.8515  1.0
  Tb  Tb2  2  0.0000  0.8774  0.3525  1.0
  Sm  Sm3  4  0.2496  0.6262  0.5178  1.0
  Sm  Sm4  2  0.0000  0.3731  0.3524  1.0
  Y  Y5  2  0.0000  0.6271  0.8531  1.0
]