data_[Na4In4Te8]
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 [Pna2_1]
_cell_length_a [8.6223]
_cell_length_b [8.7578]
_cell_length_c [7.4912]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [NaInTe2]
_chemical_formula_sum '[Na4 In4 Te8]'
_cell_volume [565.6822]
_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  0.1281  0.4939  0.1922  1.0
  In  In1  4  0.0206  0.8834  0.9177  1.0
  Te  Te2  4  0.0694  0.8279  0.5504  1.0
  Te  Te3  4  0.1825  0.3289  0.5895  1.0
]