data_[Rb4As4I14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  As  2.1800  1.1500  0.6600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1933]
_cell_length_b [18.4626]
_cell_length_c [5.3989]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2333]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2As2I7]
_chemical_formula_sum '[Rb4 As4 I14]'
_cell_volume [1101.2703]
_cell_formula_units_Z [2]
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  0.0000  0.2864  0.0000  1.0
  As  As1  4  0.2309  0.0000  0.3435  1.0
  I  I2  8  0.2426  0.1560  0.3069  1.0
  I  I3  4  0.1358  0.5000  0.2124  1.0
  I  I4  2  0.0000  0.0000  0.5000  1.0
]