data_[Na8Ge4Sb4Te20]
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
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0599]
_cell_length_b [20.5710]
_cell_length_c [14.0346]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na2GeSbTe5]
_chemical_formula_sum '[Na8 Ge4 Sb4 Te20]'
_cell_volume [1172.1125]
_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  0.0000  0.1094  0.6631  1.0
  Na  Na1  4  0.0000  0.1213  0.3134  1.0
  Ge  Ge2  4  0.0000  0.4350  0.4257  1.0
  Sb  Sb3  4  0.0000  0.2213  0.0424  1.0
  Te  Te4  4  0.0000  0.0414  0.0463  1.0
  Te  Te5  4  0.0000  0.2686  0.6964  1.0
  Te  Te6  4  0.0000  0.3096  0.3789  1.0
  Te  Te7  4  0.0000  0.3543  0.9927  1.0
  Te  Te8  4  0.0000  0.4979  0.2650  1.0
]