data_[Na2In2Sn2Te6]
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
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.1502]
_cell_length_b [4.5736]
_cell_length_c [11.9906]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4449]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaInSnTe3]
_chemical_formula_sum '[Na2 In2 Sn2 Te6]'
_cell_volume [476.0188]
_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
[
  Na  Na0  2  0.2038  0.2500  0.1472  1.0
  In  In1  2  0.0641  0.2500  0.6305  1.0
  Sn  Sn2  2  0.3286  0.7500  0.8839  1.0
  Te  Te3  2  0.0473  0.2500  0.8557  1.0
  Te  Te4  2  0.2193  0.7500  0.5691  1.0
  Te  Te5  2  0.4467  0.7500  0.1419  1.0
]