data_[Rb1Cu1I2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [P-1]
_cell_length_a [7.3589]
_cell_length_b [7.7604]
_cell_length_c [7.8333]
_cell_angle_alpha [112.5942]
_cell_angle_beta [104.1113]
_cell_angle_gamma [95.0817]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbCu(ICl3)2]
_chemical_formula_sum '[Rb1 Cu1 I2 Cl6]'
_cell_volume [392.1629]
_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
[
  Rb  Rb0  1  0.5000  0.5000  0.0000  1.0
  Cu  Cu1  1  0.0000  0.0000  0.0000  1.0
  I  I2  2  0.3507  0.7861  0.6554  1.0
  Cl  Cl3  2  0.1146  0.1585  0.8586  1.0
  Cl  Cl4  2  0.1166  0.7405  0.8501  1.0
  Cl  Cl5  2  0.4087  0.2364  0.5163  1.0
]