data_[Rb3Cu2Bi1I9]
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
  Bi  2.0200  1.6000  1.0350
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [8.2012]
_cell_length_b [8.2012]
_cell_length_c [10.1623]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Rb3Cu2BiI9]
_chemical_formula_sum '[Rb3 Cu2 Bi1 I9]'
_cell_volume [591.9411]
_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  2  0.3333  0.6667  0.3186  1.0
  Rb  Rb1  1  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  2  0.3333  0.6667  0.8577  1.0
  Bi  Bi3  1  0.0000  0.0000  0.5000  1.0
  I  I4  6  0.1741  0.8259  0.6785  1.0
  I  I5  3  0.0000  0.5000  0.0000  1.0
]