data_[La18Tb6Te36]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.0978]
_cell_length_b [14.0978]
_cell_length_c [13.1597]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [La3TbTe6]
_chemical_formula_sum '[La18 Tb6 Te36]'
_cell_volume [2265.0554]
_cell_formula_units_Z [6]
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  18  0.0493  0.4402  0.3189  1
  Tb  Tb1  3  0.0000  0.0000  0.0000  1
  Tb  Tb2  3  0.0000  0.0000  0.5000  1
  Te  Te3  18  0.0354  0.2075  0.3889  1
  Te  Te4  18  0.0505  0.2060  0.8826  1
]