data_[K4Rb8P4Se16]
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
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.9113]
_cell_length_b [12.6451]
_cell_length_c [9.2518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.1375]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KRb2PSe4]
_chemical_formula_sum '[K4 Rb8 P4 Se16]'
_cell_volume [1219.8792]
_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
[
  K  K0  4  0.0000  0.0000  0.0000  1
  Rb  Rb1  4  0.0000  0.5000  0.0000  1
  Rb  Rb2  4  0.2500  0.2500  0.0000  1
  P  P3  4  0.2500  0.2500  0.5000  1
  Se  Se4  8  0.0969  0.2468  0.5604  1
  Se  Se5  8  0.2376  0.0651  0.4752  1
]