data_[K2Sb2P4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sb  2.0500  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]
_cell_length_a [6.7243]
_cell_length_b [8.0628]
_cell_length_c [9.8721]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.2529]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [KSb(PS3)2]
_chemical_formula_sum '[K2 Sb2 P4 S12]'
_cell_volume [534.8193]
_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  0.3075  0.0581  0.4849  1.0
  Sb  Sb1  2  0.1796  0.7596  0.0180  1.0
  P  P2  2  0.2032  0.5637  0.3011  1.0
  P  P3  2  0.3083  0.3563  0.1669  1.0
  S  S4  2  0.0540  0.1329  0.8069  1.0
  S  S5  2  0.1013  0.1675  0.1677  1.0
  S  S6  2  0.1744  0.4792  0.4869  1.0
  S  S7  2  0.3191  0.4681  0.9761  1.0
  S  S8  2  0.4068  0.7444  0.2701  1.0
  S  S9  2  0.4269  0.7770  0.7586  1.0
]