data_[In4Sn4Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [22.0588]
_cell_length_b [7.9633]
_cell_length_c [6.5538]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [In2Sn2Te3]
_chemical_formula_sum '[In4 Sn4 Te6]'
_cell_volume [1151.2502]
_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
[
  In  In0  4  0.4246  0.0815  0.6452  1
  Sn  Sn1  4  0.3712  0.3141  0.2883  1
  Te  Te2  4  0.3400  0.3329  0.8578  1
  Te  Te3  2  0.5000  0.3782  0.4077  1
]