data_[Rb4In2S6]
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 [P-1]
_cell_length_a [7.4017]
_cell_length_b [8.1072]
_cell_length_c [8.2615]
_cell_angle_alpha [79.6668]
_cell_angle_beta [63.7106]
_cell_angle_gamma [63.6120]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Rb2InS3]
_chemical_formula_sum '[Rb4 In2 S6]'
_cell_volume [398.0630]
_cell_formula_units_Z [2]
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  2  0.0615  0.6990  0.5292  1.0
  Rb  Rb1  2  0.4221  0.1447  0.7637  1.0
  In  In2  2  0.2008  0.7794  0.9077  1.0
  S  S3  2  0.0981  0.5053  0.0601  1.0
  S  S4  2  0.1242  0.9732  0.1589  1.0
  S  S5  2  0.4575  0.2962  0.3560  1.0
]