data_[Rb2In2Sn2S6]
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
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.5467]
_cell_length_b [4.1413]
_cell_length_c [10.5458]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6026]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbInSnS3]
_chemical_formula_sum '[Rb2 In2 Sn2 S6]'
_cell_volume [411.0977]
_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  0.1561  0.2500  0.1652  1.0
  In  In1  2  0.1036  0.2500  0.6181  1.0
  Sn  Sn2  2  0.3920  0.7500  0.8591  1.0
  S  S3  2  0.1364  0.2500  0.8456  1.0
  S  S4  2  0.1640  0.7500  0.4912  1.0
  S  S5  2  0.4060  0.7500  0.1039  1.0
]