data_[Rb4Cr4I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Cr  1.6600  1.4000  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9906]
_cell_length_b [8.1058]
_cell_length_c [7.0252]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.3125]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbCrI3]
_chemical_formula_sum '[Rb4 Cr4 I12]'
_cell_volume [793.2737]
_cell_formula_units_Z [4]
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  4  0.1619  0.5000  0.7403  1.0
  Cr  Cr1  2  0.0000  0.0000  0.0000  1.0
  Cr  Cr2  2  0.0000  0.0000  0.5000  1.0
  I  I3  8  0.0815  0.2413  0.2791  1.0
  I  I4  4  0.1662  0.0000  0.8095  1.0
]