data_[Cs1P1H2Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7481]
_cell_length_b [6.9047]
_cell_length_c [7.8334]
_cell_angle_alpha [75.8041]
_cell_angle_beta [83.1947]
_cell_angle_gamma [84.2042]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsP(HCl4)2]
_chemical_formula_sum '[Cs1 P1 H2 Cl8]'
_cell_volume [350.3625]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1.0
  P  P1  1  0.0000  0.0000  0.0000  1.0
  H  H2  2  0.3688  0.7224  0.7713  1.0
  Cl  Cl3  2  0.0815  0.0275  0.2523  1.0
  Cl  Cl4  2  0.1866  0.7159  0.0282  1.0
  Cl  Cl5  2  0.2532  0.1611  0.8676  1.0
  Cl  Cl6  2  0.4500  0.7020  0.6156  1.0
]