data_[K4Sn2P4S12]
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/m]
_cell_length_a [12.1061]
_cell_length_b [6.9773]
_cell_length_c [8.1049]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.7748]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Sn(PS3)2]
_chemical_formula_sum '[K4 Sn2 P4 S12]'
_cell_volume [581.9964]
_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  4  0.2156  0.5000  0.2207  1.0
  Sn  Sn1  2  0.0000  0.5000  0.5000  1.0
  P  P2  4  0.0276  0.0000  0.1615  1.0
  S  S3  8  0.0570  0.2431  0.8173  1.0
  S  S4  4  0.2248  0.0000  0.3363  1.0
]