data_[K2Sn2P2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sn  1.9600  1.4500  0.8300
  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 [6.6458]
_cell_length_b [6.6504]
_cell_length_c [8.8855]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8469]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KSnPS4]
_chemical_formula_sum '[K2 Sn2 P2 S8]'
_cell_volume [373.8125]
_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  0.2746  0.2500  0.0641  1.0
  Sn  Sn1  2  0.2438  0.2500  0.5360  1.0
  P  P2  2  0.2082  0.7500  0.3107  1.0
  S  S3  4  0.0148  0.5027  0.2646  1.0
  S  S4  2  0.3843  0.7500  0.5484  1.0
  S  S5  2  0.4047  0.7500  0.1722  1.0
]