data_[Cs2P1I5]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.3742]
_cell_length_b [7.7314]
_cell_length_c [9.0762]
_cell_angle_alpha [106.1232]
_cell_angle_beta [104.9410]
_cell_angle_gamma [91.2902]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Cs2PI5]
_chemical_formula_sum '[Cs2 P1 I5]'
_cell_volume [477.8286]
_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  0.2224  0.6865  0.5531  1
  Cs  Cs1  1  0.6724  0.1557  0.4407  1
  P  P2  1  0.1113  0.1107  0.9051  1
  I  I3  1  0.1752  0.8490  0.0233  1
  I  I4  1  0.2157  0.2002  0.5802  1
  I  I5  1  0.3416  0.3614  0.1152  1
  I  I6  1  0.6842  0.6589  0.4341  1
  I  I7  1  0.8002  0.2007  0.9483  1
]