data_[Rb2Fe2Ge2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Fe  1.8300  1.4000  0.8525
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.1322]
_cell_length_b [3.4082]
_cell_length_c [10.5978]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2130]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbFeGeS3]
_chemical_formula_sum '[Rb2 Fe2 Ge2 S6]'
_cell_volume [282.0448]
_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  0.4503  0.7500  0.7493  1
  Fe  Fe1  2  0.0266  0.2500  0.1086  1
  Ge  Ge2  2  0.0884  0.7500  0.4361  1
  S  S3  2  0.0875  0.2500  0.7779  1
  S  S4  2  0.2080  0.7500  0.0769  1
  S  S5  2  0.2897  0.2500  0.4474  1
]