data_[Na4Ge4Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.7837]
_cell_length_b [8.0022]
_cell_length_c [7.7484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3092]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na2Ge2Te3]
_chemical_formula_sum '[Na4 Ge4 Te6]'
_cell_volume [458.1903]
_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  0.1955  0.6980  0.8544  1
  Ge  Ge1  4  0.3228  0.1713  0.9895  1
  Te  Te2  4  0.4207  0.5196  0.2282  1
  Te  Te3  2  0.0000  0.0000  0.0000  1
]