data_[Rb8Zr4S12]
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 [C2/c]
_cell_length_a [12.5886]
_cell_length_b [8.8308]
_cell_length_c [6.9195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.5428]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Rb2ZrS3]
_chemical_formula_sum '[Rb8 Zr4 S12]'
_cell_volume [768.9540]
_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  0.1599  0.3394  0.2380  1.0
  Zr  Zr1  4  0.0000  0.0855  0.7500  1.0
  S  S2  8  0.1369  0.0054  0.5016  1.0
  S  S3  4  0.0000  0.3531  0.7500  1.0
]