data_[K4Rb4Pb4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8953]
_cell_length_b [4.7601]
_cell_length_c [10.9554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6292]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KRbPbSe2]
_chemical_formula_sum '[K4 Rb4 Pb4 Se8]'
_cell_volume [914.0514]
_cell_formula_units_Z [4]
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
[
  Rb  Rb0  4  0.1158  0.5000  0.6285  1.0
  K  K1  4  0.1684  0.5000  0.0694  1.0
  Pb  Pb2  4  0.0099  0.0000  0.1635  1.0
  Se  Se3  4  0.0655  0.5000  0.3074  1.0
  Se  Se4  4  0.1456  0.0000  0.8521  1.0
]