data_[Rb8La8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  La  1.1000  1.9500  1.1720
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [17.3154]
_cell_length_b [12.6898]
_cell_length_c [7.9775]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [RbLaI3]
_chemical_formula_sum '[Rb8 La8 I24]'
_cell_volume [1752.8784]
_cell_formula_units_Z [8]
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  8  0.2500  0.0807  0.2500  1.0
  La  La1  8  0.0000  0.2193  0.6015  1.0
  I  I2  16  0.1429  0.1835  0.8774  1.0
  I  I3  8  0.0000  0.0525  0.2798  1.0
]