data_[K2Al2P4Se14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Al  1.6100  1.2500  0.6750
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.1761]
_cell_length_b [10.3990]
_cell_length_c [6.8693]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.2513]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [KAlP2Se7]
_chemical_formula_sum '[K2 Al2 P4 Se14]'
_cell_volume [648.6990]
_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  0.0000  0.0695  0.5000  1.0
  Al  Al1  2  0.0000  0.4938  0.0000  1.0
  P  P2  4  0.2058  0.8389  0.0738  1.0
  Se  Se3  4  0.1561  0.6593  0.2244  1.0
  Se  Se4  4  0.1570  0.4693  0.7204  1.0
  Se  Se5  4  0.1761  0.3251  0.1848  1.0
  Se  Se6  2  0.0000  0.9701  0.0000  1.0
]