data_[In9Te9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [11.3650]
_cell_length_b [11.3650]
_cell_length_c [17.7803]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [InTe]
_chemical_formula_sum '[In9 Te9]'
_cell_volume [1988.8706]
_cell_formula_units_Z [9]
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
[
  In  In0  6  0.1746  0.7907  0.5756  1
  In  In1  3  0.0000  0.4772  0.5542  1
  Te  Te2  6  0.1791  0.6729  0.4192  1
  Te  Te3  3  0.0000  0.8199  0.4561  1
]