data_[Na8Zr4Ge4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zr  1.3300  1.5500  0.8600
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8826]
_cell_length_b [18.4849]
_cell_length_c [13.3720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na2ZrGeSe5]
_chemical_formula_sum '[Na8 Zr4 Ge4 Se20]'
_cell_volume [959.7148]
_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  0.1090  0.6604  1.0
  Na  Na1  4  0.0000  0.1168  0.3277  1.0
  Zr  Zr2  4  0.0000  0.2213  0.0447  1.0
  Ge  Ge3  4  0.0000  0.4302  0.4167  1.0
  Se  Se4  4  0.0000  0.0554  0.0326  1.0
  Se  Se5  4  0.0000  0.2940  0.6781  1.0
  Se  Se6  4  0.0000  0.3021  0.3944  1.0
  Se  Se7  4  0.0000  0.3528  0.0003  1.0
  Se  Se8  4  0.0000  0.4943  0.2691  1.0
]