data_[K8Nb4Ga4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Nb  1.6000  1.4500  0.8200
  Ga  1.8100  1.3000  0.7600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.6288]
_cell_length_b [18.3707]
_cell_length_c [14.1210]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2NbGaS5]
_chemical_formula_sum '[K8 Nb4 Ga4 S20]'
_cell_volume [941.3560]
_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  0.0993  0.6709  1.0
  K  K1  4  0.0000  0.1319  0.3033  1.0
  Nb  Nb2  4  0.0000  0.2256  0.0258  1.0
  Ga  Ga3  4  0.0000  0.4323  0.4373  1.0
  S  S4  4  0.0000  0.0681  0.0389  1.0
  S  S5  4  0.0000  0.2812  0.6453  1.0
  S  S6  4  0.0000  0.3033  0.4033  1.0
  S  S7  4  0.0000  0.3458  0.9963  1.0
  S  S8  4  0.0000  0.4931  0.3029  1.0
]