data_[K2Sc2Zn2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sc  1.3600  1.6000  0.8850
  Zn  1.6500  1.3500  0.8800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.5303]
_cell_length_b [3.8407]
_cell_length_c [9.3809]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5985]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KScZnS3]
_chemical_formula_sum '[K2 Sc2 Zn2 S6]'
_cell_volume [289.5377]
_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  0.2119  0.2500  0.2345  1.0
  Sc  Sc1  2  0.3343  0.7500  0.8661  1.0
  Zn  Zn2  2  0.0874  0.2500  0.6097  1.0
  S  S3  2  0.1227  0.2500  0.8629  1.0
  S  S4  2  0.2100  0.7500  0.5429  1.0
  S  S5  2  0.4679  0.7500  0.1502  1.0
]