data_[Rb4In4S8]
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 [17.4273]
_cell_length_b [4.0764]
_cell_length_c [7.5237]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.3551]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbInS2]
_chemical_formula_sum '[Rb4 In4 S8]'
_cell_volume [486.9236]
_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  0.1302  0.0000  0.6218  1.0
  In  In1  4  0.1039  0.5000  0.1033  1.0
  S  S2  4  0.0027  0.5000  0.7515  1.0
  S  S3  4  0.1965  0.0000  0.2011  1.0
]