data_[K2Sr2Nb2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sr  0.9500  2.0000  1.3200
  Nb  1.6000  1.4500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.0716]
_cell_length_b [6.9747]
_cell_length_c [8.8677]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8289]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KSrNbS4]
_chemical_formula_sum '[K2 Sr2 Nb2 S8]'
_cell_volume [418.6442]
_cell_formula_units_Z [2]
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  2  0.2740  0.7500  0.0668  1.0
  Sr  Sr1  2  0.2267  0.7500  0.5527  1.0
  Nb  Nb2  2  0.2233  0.2500  0.3137  1.0
  S  S3  4  0.0103  0.5060  0.2703  1.0
  S  S4  2  0.4097  0.2500  0.5707  1.0
  S  S5  2  0.4239  0.2500  0.1523  1.0
]