data_[La8Tb6Y16]
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 [C2/m]
_cell_length_a [13.6157]
_cell_length_b [12.9425]
_cell_length_c [6.8251]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.9451]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La4Tb3Y8]
_chemical_formula_sum '[La8 Tb6 Y16]'
_cell_volume [1042.1621]
_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  0.2500  0.2500  0.0000  1
  La  La1  4  0.2500  0.2500  0.5000  1
  La  La2  2  0.0000  0.0000  0.0000  1
  La  La3  2  0.0000  0.0000  0.5000  1
  Tb  Tb4  2  0.0000  0.5000  0.5000  1
  Y  Y5  4  0.0000  0.2558  0.5000  1
  Y  Y6  4  0.0000  0.3607  0.0000  1
  Y  Y7  4  0.2285  0.5000  0.4638  1
  Y  Y8  4  0.2319  0.5000  0.9879  1
]