data_[Rb8Zn12S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Zn  1.6500  1.3500  0.8800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [5.8312]
_cell_length_b [11.2046]
_cell_length_c [13.7228]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Rb2Zn3S4]
_chemical_formula_sum '[Rb8 Zn12 S16]'
_cell_volume [896.6003]
_cell_formula_units_Z [4]
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  8  0.2351  0.1214  0.0000  1.0
  Zn  Zn1  8  0.0000  0.2233  0.2500  1.0
  Zn  Zn2  4  0.0000  0.5000  0.2500  1.0
  S  S3  16  0.2206  0.3671  0.1523  1.0
]