data_[Rb6Ta3Al3S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ta  1.5000  1.4500  0.8200
  Al  1.6100  1.2500  0.6750
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.8450]
_cell_length_b [6.8450]
_cell_length_c [16.8646]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Rb2TaAlS6]
_chemical_formula_sum '[Rb6 Ta3 Al3 S18]'
_cell_volume [684.3178]
_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  0.2508  1
  Rb  Rb1  3  0.0000  0.0000  0.7516  1
  Ta  Ta2  3  0.0000  0.0000  0.9937  1
  Al  Al3  3  0.0000  0.0000  0.4961  1
  S  S4  9  0.0012  0.5006  0.7524  1
  S  S5  9  0.0058  0.5029  0.2509  1
]