data_[K2Pa1Pb1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Pa  1.5000  1.8000  1.0400
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.6583]
_cell_length_b [4.3454]
_cell_length_c [8.0111]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7582]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [K2PaPbSe4]
_chemical_formula_sum '[K2 Pa1 Pb1 Se4]'
_cell_volume [253.8915]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1
  K  K1  1  0.5000  0.0000  0.5000  1
  Pa  Pa2  1  0.5000  0.5000  0.0000  1
  Pb  Pb3  1  0.0000  0.0000  0.0000  1
  Se  Se4  2  0.2618  0.5000  0.2115  1
  Se  Se5  2  0.2815  0.0000  0.7934  1
]