data_[Na2In2Te4]
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 [P2_1]
_cell_length_a [4.4839]
_cell_length_b [7.7050]
_cell_length_c [8.8955]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4600]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [NaInTe2]
_chemical_formula_sum '[Na2 In2 Te4]'
_cell_volume [297.5953]
_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  0.1872  0.7277  0.8666  1.0
  In  In1  2  0.4222  0.7241  0.3439  1.0
  Te  Te2  2  0.1724  0.3206  0.8473  1.0
  Te  Te3  2  0.4231  0.3574  0.3546  1.0
]