data_[La2Tb8Y6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tb  1.1000  1.7500  0.9815
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.4690]
_cell_length_b [7.3400]
_cell_length_c [6.3682]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [LaTb4Y3]
_chemical_formula_sum '[La2 Tb8 Y6]'
_cell_volume [536.0867]
_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  0.2474  0.1239  0.5179  1.0
  Tb  Tb1  2  0.0000  0.1236  0.8518  1.0
  La  La2  2  0.0000  0.6277  0.8582  1.0
  Tb  Tb3  2  0.0000  0.8792  0.3490  1.0
  Y  Y4  4  0.2492  0.6265  0.5180  1.0
  Y  Y5  2  0.0000  0.3714  0.3538  1.0
]