data_[Rb6Zr9Pb3S24]
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
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.6693]
_cell_length_b [7.6693]
_cell_length_c [24.4982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Rb2Zr3PbS8]
_chemical_formula_sum '[Rb6 Zr9 Pb3 S24]'
_cell_volume [1247.9036]
_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  0.1417  1.0
  Rb  Rb1  3  0.0000  0.0000  0.4931  1.0
  Zr  Zr2  9  0.0063  0.5032  0.0004  1.0
  Pb  Pb3  3  0.0000  0.0000  0.8911  1.0
  S  S4  9  0.0310  0.5155  0.2698  1.0
  S  S5  9  0.1744  0.3487  0.0534  1.0
  S  S6  3  0.0000  0.0000  0.2729  1.0
  S  S7  3  0.0000  0.0000  0.7229  1.0
]