data_[Rb2Fe2P4S14]
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
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.5880]
_cell_length_b [9.5608]
_cell_length_c [6.8197]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.1801]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [RbFeP2S7]
_chemical_formula_sum '[Rb2 Fe2 P4 S14]'
_cell_volume [555.5646]
_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  0.0000  0.0947  0.5000  1.0
  Fe  Fe1  2  0.0000  0.4880  0.0000  1.0
  P  P2  4  0.2019  0.8364  0.0717  1.0
  S  S3  4  0.1395  0.6570  0.2011  1.0
  S  S4  4  0.1549  0.4613  0.7430  1.0
  S  S5  4  0.1703  0.3285  0.1624  1.0
  S  S6  2  0.0000  0.9695  0.0000  1.0
]