data_[K4Ge2Pb2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ge  2.0100  1.2500  0.7700
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [9.9705]
_cell_length_b [8.9201]
_cell_length_c [6.6653]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [K2GePbSe4]
_chemical_formula_sum '[K4 Ge2 Pb2 Se8]'
_cell_volume [592.8051]
_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  0.2415  0.6675  0.9448  1
  Ge  Ge1  2  0.0000  0.1602  0.0117  1
  Pb  Pb2  2  0.0000  0.8367  0.4682  1
  Se  Se3  4  0.2014  0.2936  0.9346  1
  Se  Se4  2  0.0000  0.1355  0.3722  1
  Se  Se5  2  0.0000  0.9053  0.8890  1
]