data_[Rb4Sn2Te2Se2S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.3861]
_cell_length_b [8.1536]
_cell_length_c [9.1700]
_cell_angle_alpha [76.5611]
_cell_angle_beta [71.9110]
_cell_angle_gamma [66.5025]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Rb2SnTeSeS]
_chemical_formula_sum '[Rb4 Sn2 Te2 Se2 S2]'
_cell_volume [477.6735]
_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  0.0929  0.2100  0.1293  1
  Rb  Rb1  2  0.3162  0.5701  0.3354  1
  Sn  Sn2  2  0.3671  0.0586  0.6813  1
  Te  Te3  2  0.3826  0.7936  0.9253  1
  Se  Se4  2  0.1706  0.3816  0.7220  1
  S  S5  2  0.2795  0.9707  0.4739  1
]