data_[Rb1Cu1Sb1I6]
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
  Sb  2.0500  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.4157]
_cell_length_b [7.4966]
_cell_length_c [7.9998]
_cell_angle_alpha [94.2254]
_cell_angle_beta [98.6540]
_cell_angle_gamma [110.2720]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RbCuSbI6]
_chemical_formula_sum '[Rb1 Cu1 Sb1 I6]'
_cell_volume [408.6169]
_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  0.9178  0.0380  0.0178  1.0
  Cu  Cu1  1  0.7222  0.3810  0.4450  1.0
  Sb  Sb2  1  0.3401  0.6796  0.5243  1.0
  I  I3  1  0.0384  0.3449  0.6407  1.0
  I  I4  1  0.3607  0.9585  0.8076  1.0
  I  I5  1  0.4114  0.4078  0.2406  1.0
  I  I6  1  0.5851  0.9989  0.3423  1.0
  I  I7  1  0.6603  0.5725  0.7208  1.0
  I  I8  1  0.9643  0.6190  0.2607  1.0
]