data_[Na8Sn4Ge4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sn  1.9600  1.4500  0.8300
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0455]
_cell_length_b [21.3125]
_cell_length_c [13.6539]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na2SnGeTe5]
_chemical_formula_sum '[Na8 Sn4 Ge4 Te20]'
_cell_volume [1177.2434]
_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  0.1141  0.3023  1.0
  Na  Na1  4  0.0000  0.1162  0.6672  1.0
  Sn  Sn2  4  0.0000  0.2305  0.0351  1.0
  Ge  Ge3  4  0.0000  0.4368  0.4361  1.0
  Te  Te4  4  0.0000  0.0365  0.0585  1.0
  Te  Te5  4  0.0000  0.2771  0.6889  1.0
  Te  Te6  4  0.0000  0.3163  0.3828  1.0
  Te  Te7  4  0.0000  0.3584  0.9871  1.0
  Te  Te8  4  0.0000  0.4925  0.2660  1.0
]