data_[K2Zn2P2S8]
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
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.9587]
_cell_length_b [7.7312]
_cell_length_c [8.8830]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0207]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KZnPS4]
_chemical_formula_sum '[K2 Zn2 P2 S8]'
_cell_volume [393.3305]
_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  0.2306  0.2500  0.1025  1.0
  Zn  Zn1  2  0.2892  0.2500  0.6919  1.0
  P  P2  2  0.2045  0.7500  0.2898  1.0
  S  S3  4  0.0148  0.0404  0.7224  1.0
  S  S4  2  0.3468  0.7500  0.1016  1.0
  S  S5  2  0.4880  0.7500  0.4840  1.0
]