data_[Tb2In6Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.7315]
_cell_length_b [8.6764]
_cell_length_c [18.2951]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tb(InTe)3]
_chemical_formula_sum '[Tb2 In6 Te6]'
_cell_volume [1386.0004]
_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  2  0.0040  0.5000  0.5684  1
  In  In1  4  0.3004  0.3147  0.4164  1
  In  In2  2  0.0826  0.0000  0.5112  1
  Te  Te3  4  0.2691  0.2599  0.5892  1
  Te  Te4  2  0.4618  0.0000  0.4091  1
]