data_[Rb12Mg6Ti6Cl36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Mg  1.3100  1.5000  0.8600
  Ti  1.5400  1.4000  0.8517
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.2222]
_cell_length_b [7.2222]
_cell_length_c [35.9838]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Rb2MgTiCl6]
_chemical_formula_sum '[Rb12 Mg6 Ti6 Cl36]'
_cell_volume [1625.4493]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.1241  1.0
  Rb  Rb1  6  0.0000  0.0000  0.2912  1.0
  Mg  Mg2  3  -0.0000  -0.0000  0.5000  1.0
  Mg  Mg3  3  0.0000  0.0000  0.0000  1.0
  Ti  Ti4  6  0.0000  0.0000  0.4131  1.0
  Cl  Cl5  18  0.0038  0.5019  0.7071  1.0
  Cl  Cl6  18  0.0160  0.5080  0.1237  1.0
]