data_[K8Zr4Ge4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Zr  1.3300  1.5500  0.8600
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.7818]
_cell_length_b [18.9567]
_cell_length_c [13.7566]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2ZrGeS5]
_chemical_formula_sum '[K8 Zr4 Ge4 S20]'
_cell_volume [986.2126]
_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
[
  K  K0  4  0.0000  0.1231  0.6777  1.0
  K  K1  4  0.0000  0.1274  0.3241  1.0
  Zr  Zr2  4  0.0000  0.2127  0.0354  1.0
  Ge  Ge3  4  0.0000  0.4331  0.4201  1.0
  S  S4  4  0.0000  0.0549  0.0229  1.0
  S  S5  4  0.0000  0.3009  0.6557  1.0
  S  S6  4  0.0000  0.3150  0.3974  1.0
  S  S7  4  0.0000  0.3337  0.0026  1.0
  S  S8  4  0.0000  0.4918  0.2881  1.0
]