data_[K2Sn2P4S14]
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 [C2]
_cell_length_a [9.0017]
_cell_length_b [10.3271]
_cell_length_c [6.8406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8189]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [KSnP2S7]
_chemical_formula_sum '[K2 Sn2 P4 S14]'
_cell_volume [620.0637]
_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  0.0000  0.9654  0.5000  1.0
  Sn  Sn1  2  0.0000  0.5101  0.0000  1.0
  P  P2  4  0.2015  0.8510  0.0885  1.0
  S  S3  4  0.1577  0.6958  0.2507  1.0
  S  S4  4  0.1616  0.4705  0.7144  1.0
  S  S5  4  0.2127  0.3186  0.1573  1.0
  S  S6  2  0.0000  0.9711  0.0000  1.0
]