data_[Cs4Na4P4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  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 [13.3707]
_cell_length_b [7.9504]
_cell_length_c [8.2364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.2080]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsNaPSe3]
_chemical_formula_sum '[Cs4 Na4 P4 Se12]'
_cell_volume [870.4131]
_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  0.1630  0.5000  0.8708  1.0
  Na  Na1  4  0.0000  0.1996  0.5000  1.0
  P  P2  4  0.0166  0.0000  0.1416  1.0
  Se  Se3  8  0.1016  0.2326  0.2092  1.0
  Se  Se4  4  0.1293  0.0000  0.7534  1.0
]