data_[La6Tb1Ce1]
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
  Ce  1.1200  1.8500  1.0800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.1292]
_cell_length_b [5.1292]
_cell_length_c [10.2624]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [La6TbCe]
_chemical_formula_sum '[La6 Tb1 Ce1]'
_cell_volume [269.9859]
_cell_formula_units_Z [1]
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
[
  La  La0  4  0.0000  0.5000  0.2524  1.0
  Tb  Tb1  1  0.0000  0.0000  0.0000  1.0
  La  La2  1  0.5000  0.5000  0.0000  1.0
  La  La3  1  0.5000  0.5000  0.5000  1.0
  Ce  Ce4  1  0.0000  0.0000  0.5000  1.0
]