data_[Rb14Zr2S9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Zr  1.3300  1.5500  0.8600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [9.5591]
_cell_length_b [9.5591]
_cell_length_c [13.0250]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Rb14Zr2S9]
_chemical_formula_sum '[Rb14 Zr2 S9]'
_cell_volume [1030.7261]
_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  0.0470  0.6786  0.9071  1
  Rb  Rb1  6  0.0893  0.3921  0.5975  1
  Rb  Rb2  2  0.0000  0.0000  0.2545  1
  Zr  Zr3  2  0.3333  0.6667  0.2705  1
  S  S4  6  0.1138  0.4074  0.3331  1
  S  S5  2  0.3333  0.6667  0.0822  1
  S  S6  1  0.0000  0.0000  0.0000  1
]