data_[Rb2Sc2Fe2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sc  1.3600  1.6000  0.8850
  Fe  1.8300  1.4000  0.8525
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.9117]
_cell_length_b [3.8080]
_cell_length_c [9.4184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1338]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbScFeS3]
_chemical_formula_sum '[Rb2 Sc2 Fe2 S6]'
_cell_volume [296.0641]
_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  0.2148  0.2500  0.2383  1.0
  Sc  Sc1  2  0.3367  0.7500  0.8598  1.0
  Fe  Fe2  2  0.0777  0.2500  0.5973  1.0
  S  S3  2  0.1293  0.2500  0.8525  1.0
  S  S4  2  0.2031  0.7500  0.5462  1.0
  S  S5  2  0.4720  0.7500  0.1500  1.0
]