data_[Na4In2Ge2Te8]
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
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [9.5952]
_cell_length_b [8.7214]
_cell_length_c [7.4201]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Na2InGeTe4]
_chemical_formula_sum '[Na4 In2 Ge2 Te8]'
_cell_volume [620.9371]
_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  4  0.2469  0.6668  0.9852  1.0
  In  In1  2  0.0000  0.8528  0.4960  1.0
  Ge  Ge2  2  0.0000  0.1695  0.9899  1.0
  Te  Te3  4  0.2477  0.6902  0.4066  1.0
  Te  Te4  2  0.0000  0.1519  0.3507  1.0
  Te  Te5  2  0.0000  0.8779  0.8798  1.0
]