data_[Rb6Sr3Mg3I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sr  0.9500  2.0000  1.3200
  Mg  1.3100  1.5000  0.8600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.6735]
_cell_length_b [8.6735]
_cell_length_c [20.8690]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Rb2SrMgI6]
_chemical_formula_sum '[Rb6 Sr3 Mg3 I18]'
_cell_volume [1359.6454]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.4510  1.0
  Rb  Rb1  3  0.0000  0.0000  0.9442  1.0
  Sr  Sr2  3  0.0000  0.0000  0.1822  1.0
  Mg  Mg3  3  0.0000  0.0000  0.6821  1.0
  I  I4  9  0.0177  0.4330  0.4269  1.0
  I  I5  9  0.1024  0.7458  0.2661  1.0
]