data_[Rb2Nb2Fe2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Nb  1.6000  1.4500  0.8200
  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 [8.8082]
_cell_length_b [3.5211]
_cell_length_c [9.5619]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.9837]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbNbFeS3]
_chemical_formula_sum '[Rb2 Nb2 Fe2 S6]'
_cell_volume [264.2710]
_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  0.2386  0.2500  0.2501  1.0
  Nb  Nb1  2  0.3006  0.7500  0.8263  1.0
  Fe  Fe2  2  0.0863  0.2500  0.6075  1.0
  S  S3  2  0.1170  0.2500  0.8561  1.0
  S  S4  2  0.2116  0.7500  0.5404  1.0
  S  S5  2  0.4726  0.7500  0.1332  1.0
]