data_[Cs4P4H2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5827]
_cell_length_b [7.1009]
_cell_length_c [8.2531]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8731]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2P2HSe6]
_chemical_formula_sum '[Cs4 P4 H2 Se12]'
_cell_volume [743.7682]
_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  4  0.1990  0.5000  0.1914  1
  P  P1  4  0.0397  0.0000  0.2607  1
  H  H2  2  0.0000  0.5000  0.5000  1
  Se  Se3  8  0.0350  0.2654  0.7305  1
  Se  Se4  4  0.2052  0.0000  0.3077  1
]