data_[Cs4Cu4Ag2I14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cu  1.9000  1.3500  0.8200
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.6690]
_cell_length_b [9.8098]
_cell_length_c [12.3296]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2450]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Cu2AgI7]
_chemical_formula_sum '[Cs4 Cu4 Ag2 I14]'
_cell_volume [1147.0288]
_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  4  0.2391  0.0000  0.3218  1.0
  Cu  Cu1  4  0.2246  0.5000  0.1711  1.0
  Ag  Ag2  2  0.0000  0.0000  0.0000  1.0
  I  I3  8  0.1021  0.1949  0.8571  1.0
  I  I4  4  0.1494  0.5000  0.3618  1.0
  I  I5  2  0.0000  0.5000  0.0000  1.0
]