data_[Rb12In4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0584]
_cell_length_b [13.8087]
_cell_length_c [8.0351]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4759]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3InS3]
_chemical_formula_sum '[Rb12 In4 S12]'
_cell_volume [984.9767]
_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  4  0.0000  0.2528  0.0000  1.0
  Rb  Rb1  4  0.0000  0.3207  0.5000  1.0
  Rb  Rb2  4  0.1127  0.0000  0.3535  1.0
  In  In3  4  0.1753  0.5000  0.1466  1.0
  S  S4  8  0.1986  0.1468  0.7256  1.0
  S  S5  4  0.1011  0.5000  0.8228  1.0
]