data_[Cs2Cu4As2I16]
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
  As  2.1800  1.1500  0.6600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9345]
_cell_length_b [8.1007]
_cell_length_c [10.8398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7445]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsCu2AsI8]
_chemical_formula_sum '[Cs2 Cu4 As2 I16]'
_cell_volume [966.4725]
_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  0.0000  0.0000  0.5000  1
  Cu  Cu1  4  0.0774  0.5000  0.8138  1
  As  As2  2  0.0000  0.0000  0.0000  1
  I  I3  8  0.0737  0.2486  0.2127  1
  I  I4  4  0.1287  0.5000  0.6037  1
  I  I5  4  0.2333  0.0000  0.9729  1
]