data_[Rb2Ti2Bi2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ti  1.5400  1.4000  0.8517
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.7284]
_cell_length_b [7.0650]
_cell_length_c [9.1441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8967]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbTiBiS4]
_chemical_formula_sum '[Rb2 Ti2 Bi2 S8]'
_cell_volume [413.6439]
_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  0.2662  0.2500  0.0628  1.0
  Ti  Ti1  2  0.2342  0.7500  0.3334  1.0
  Bi  Bi2  2  0.2237  0.2500  0.5553  1.0
  S  S3  4  0.0033  0.5023  0.2988  1.0
  S  S4  2  0.4354  0.7500  0.1748  1.0
  S  S5  2  0.4479  0.7500  0.5734  1.0
]