data_[Cs2Al2P4Se14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [9.2226]
_cell_length_b [10.3475]
_cell_length_c [7.4135]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.5338]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsAlP2Se7]
_chemical_formula_sum '[Cs2 Al2 P4 Se14]'
_cell_volume [701.3721]
_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
[
  Cs  Cs0  2  0.0000  0.0605  0.0000  1.0
  Al  Al1  2  0.0000  0.4936  0.5000  1.0
  P  P2  4  0.2032  0.8411  0.5688  1.0
  Se  Se3  4  0.1504  0.6609  0.7066  1.0
  Se  Se4  4  0.1577  0.4679  0.2393  1.0
  Se  Se5  4  0.1748  0.3253  0.6688  1.0
  Se  Se6  2  0.0000  0.9740  0.5000  1.0
]