data_[Rb6S1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [8.6309]
_cell_length_b [8.6309]
_cell_length_c [8.2494]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [162]
_chemical_formula_structural [Rb6S]
_chemical_formula_sum '[Rb6 S1]'
_cell_volume [532.1816]
_cell_formula_units_Z [1]
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  0.3053  0.2287  1.0
  S  S1  1  0.0000  0.0000  0.0000  1.0
]