data_[Na4In8Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [25.2824]
_cell_length_b [4.4289]
_cell_length_c [8.4293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7958]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaIn2Te3]
_chemical_formula_sum '[Na4 In8 Te12]'
_cell_volume [893.5325]
_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
[
  Na  Na0  4  0.1423  0.5000  0.8382  1.0
  In  In1  4  0.0578  0.0000  0.2005  1.0
  In  In2  4  0.2250  0.5000  0.3628  1.0
  Te  Te3  4  0.0591  0.0000  0.8687  1.0
  Te  Te4  4  0.1116  0.5000  0.4056  1.0
  Te  Te5  4  0.2308  0.0000  0.1368  1.0
]