data_[Cs2Cu4I2Cl4]
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
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.7677]
_cell_length_b [5.5629]
_cell_length_c [9.0479]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1995]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsCu2ICl2]
_chemical_formula_sum '[Cs2 Cu4 I2 Cl4]'
_cell_volume [364.5090]
_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  0.3255  0.2500  0.6274  1.0
  Cu  Cu1  4  0.1130  0.5010  0.1457  1.0
  I  I2  2  0.1991  0.7500  0.9273  1.0
  Cl  Cl3  2  0.1264  0.7500  0.3641  1.0
  Cl  Cl4  2  0.3780  0.2500  0.2569  1.0
]