data_[In7Te4]
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 [P6mm]
_cell_length_a [8.7463]
_cell_length_b [8.7463]
_cell_length_c [18.8288]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [In7Te4]
_chemical_formula_sum '[In7 Te4]'
_cell_volume [1247.3739]
_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
[
  In  In0  6  0.2047  0.4095  0.5279  1
  In  In1  1  0.0000  0.0000  0.6215  1
  Te  Te2  3  0.0000  0.5000  0.4185  1
  Te  Te3  1  0.0000  0.0000  0.4561  1
]