data_[Cs2In2Ag2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.6629]
_cell_length_b [4.0185]
_cell_length_c [10.8097]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6430]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsInAgSe3]
_chemical_formula_sum '[Cs2 In2 Ag2 Se6]'
_cell_volume [392.7956]
_cell_formula_units_Z [2]
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  2  0.2106  0.2500  0.2382  1
  In  In1  2  0.3380  0.7500  0.8944  1
  Ag  Ag2  2  0.0899  0.2500  0.6060  1
  Se  Se3  2  0.1344  0.2500  0.8650  1
  Se  Se4  2  0.2042  0.7500  0.5209  1
  Se  Se5  2  0.4891  0.7500  0.1580  1
]