data_[Rb2Nb2Tl4S8]
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
  Tl  1.6200  1.9000  1.3325
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [9.0367]
_cell_length_b [9.6631]
_cell_length_c [6.4714]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [RbNb(TlS2)2]
_chemical_formula_sum '[Rb2 Nb2 Tl4 S8]'
_cell_volume [565.0991]
_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  0.1012  0.5572  1.0
  Nb  Nb1  2  0.0000  0.7782  0.9687  1.0
  Tl  Tl2  4  0.2054  0.3451  0.0888  1.0
  S  S3  4  0.2176  0.6683  0.0640  1.0
  S  S4  2  0.0000  0.0059  0.0567  1.0
  S  S5  2  0.0000  0.7664  0.6118  1.0
]