data_[Cs4Rb4P4Se12]
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/m]
_cell_length_a [12.9384]
_cell_length_b [8.3659]
_cell_length_c [9.2362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8383]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsRbPSe3]
_chemical_formula_sum '[Cs4 Rb4 P4 Se12]'
_cell_volume [985.0425]
_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  0.1539  0.5000  0.9045  1
  Rb  Rb1  4  0.0000  0.2297  0.5000  1
  P  P2  4  0.0215  0.0000  0.1292  1
  Se  Se3  8  0.1141  0.2186  0.1927  1
  Se  Se4  4  0.1284  0.0000  0.7849  1
]