data_[In12Ga8Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.3808]
_cell_length_b [8.9222]
_cell_length_c [8.5357]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.6528]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [In3(GaTe2)2]
_chemical_formula_sum '[In12 Ga8 Te16]'
_cell_volume [1163.4742]
_cell_formula_units_Z [4]
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  8  0.1176  0.0734  0.8157  1
  In  In1  4  0.0000  0.4702  0.7500  1
  Ga  Ga2  8  0.1910  0.3453  0.5097  1
  Te  Te3  8  0.0261  0.2423  0.4773  1
  Te  Te4  8  0.2164  0.4110  0.8308  1
]