data_[K2V2Pb2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  V  1.6300  1.3500  0.7775
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.7212]
_cell_length_b [6.7801]
_cell_length_c [9.2518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1405]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KVPbS4]
_chemical_formula_sum '[K2 V2 Pb2 S8]'
_cell_volume [406.9716]
_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  0.2145  0.2500  0.5280  1.0
  V  V1  2  0.2018  0.7500  0.2705  1.0
  Pb  Pb2  2  0.2231  0.2500  0.0286  1.0
  S  S3  4  0.0053  0.5038  0.7997  1.0
  S  S4  2  0.3162  0.7500  0.5063  1.0
  S  S5  2  0.4339  0.7500  0.1516  1.0
]