data_[Cs8Rb4P4Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.8424]
_cell_length_b [13.5320]
_cell_length_c [8.1716]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.3984]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cs2RbPSe4]
_chemical_formula_sum '[Cs8 Rb4 P4 Se16]'
_cell_volume [1308.3612]
_cell_formula_units_Z [4]
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  0.0000  0.0000  0.0000  1
  Cs  Cs1  4  0.2500  0.2500  0.5000  1
  Rb  Rb2  4  0.0000  0.5000  0.0000  1
  P  P3  4  0.2500  0.2500  0.0000  1
  Se  Se4  8  0.0676  0.2644  0.1146  1
  Se  Se5  8  0.2295  0.4049  0.8494  1
]