data_[Cs1Ag2P2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ag  1.9300  1.6000  1.0867
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9311]
_cell_length_b [7.0925]
_cell_length_c [8.8793]
_cell_angle_alpha [67.7940]
_cell_angle_beta [71.4934]
_cell_angle_gamma [77.4007]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsAg2(PSe3)2]
_chemical_formula_sum '[Cs1 Ag2 P2 Se6]'
_cell_volume [380.8220]
_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
  Ag  Ag1  2  0.3662  0.2145  0.0525  1.0
  P  P2  2  0.1228  0.9362  0.9020  1.0
  Se  Se3  2  0.0313  0.0821  0.2726  1.0
  Se  Se4  2  0.2802  0.6395  0.0432  1.0
  Se  Se5  2  0.3557  0.1506  0.7697  1.0
]