data_[K2Pr2Sn2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Pr  1.1300  1.8500  1.0600
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.1181]
_cell_length_b [4.1392]
_cell_length_c [12.0174]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2475]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KPrSnS3]
_chemical_formula_sum '[K2 Pr2 Sn2 S6]'
_cell_volume [387.6847]
_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  0.2135  0.2500  0.2376  1.0
  Pr  Pr1  2  0.3543  0.7500  0.8560  1.0
  Sn  Sn2  2  0.1686  0.2500  0.5719  1.0
  S  S3  2  0.0989  0.2500  0.7693  1.0
  S  S4  2  0.3794  0.7500  0.6199  1.0
  S  S5  2  0.3936  0.7500  0.0974  1.0
]