data_[In8Si4Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Si  1.9000  1.1000  0.5400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.5311]
_cell_length_b [13.8632]
_cell_length_c [8.3324]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.1283]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [In2SiTe6]
_chemical_formula_sum '[In8 Si4 Te24]'
_cell_volume [1451.7748]
_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  0.2021  0.3897  0.9615  1.0
  Si  Si1  4  0.0000  0.1377  0.7500  1.0
  Te  Te2  8  0.0811  0.4439  0.1357  1.0
  Te  Te3  8  0.1174  0.0448  0.0467  1.0
  Te  Te4  8  0.1333  0.2341  0.6971  1.0
]