data_[K2Zn2Sb2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Zn  1.6500  1.3500  0.8800
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.1761]
_cell_length_b [3.9714]
_cell_length_c [9.3793]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3514]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KZnSbS3]
_chemical_formula_sum '[K2 Zn2 Sb2 S6]'
_cell_volume [335.1146]
_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  0.1672  0.2500  0.2129  1.0
  Zn  Zn1  2  0.0946  0.2500  0.5969  1.0
  Sb  Sb2  2  0.3558  0.7500  0.8553  1.0
  S  S3  2  0.1527  0.2500  0.8544  1.0
  S  S4  2  0.1728  0.7500  0.4924  1.0
  S  S5  2  0.4153  0.7500  0.1240  1.0
]