data_[Tb16Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.7559]
_cell_length_b [4.1268]
_cell_length_c [11.6711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.3538]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Te]
_chemical_formula_sum '[Tb16 Te8]'
_cell_volume [804.7011]
_cell_formula_units_Z [8]
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  0.0801  0.0000  0.4236  1.0
  Tb  Tb1  4  0.0919  0.5000  0.6746  1.0
  Tb  Tb2  4  0.1937  0.0000  0.1215  1.0
  Tb  Tb3  4  0.2483  0.5000  0.3808  1.0
  Te  Te4  4  0.0791  0.5000  0.2127  1.0
  Te  Te5  4  0.1688  0.0000  0.8591  1.0
]