data_[Rb1Cu2I1Cl8]
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 [5.8512]
_cell_length_b [6.8807]
_cell_length_c [10.6713]
_cell_angle_alpha [87.0043]
_cell_angle_beta [79.0965]
_cell_angle_gamma [76.2927]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbCu2ICl8]
_chemical_formula_sum '[Rb1 Cu2 I1 Cl8]'
_cell_volume [409.8474]
_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  0.0000  0.5000  0.0000  1.0
  Cu  Cu1  2  0.4990  0.2489  0.5022  1.0
  I  I2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.0498  0.1693  0.7846  1.0
  Cl  Cl4  2  0.3088  0.0467  0.4169  1.0
  Cl  Cl5  2  0.3278  0.5398  0.4071  1.0
  Cl  Cl6  2  0.4040  0.7647  0.9330  1.0
]