data_[Rb4Tl8Mo4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Tl  1.6200  1.9000  1.3325
  Mo  2.1600  1.4500  0.7750
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [10.4662]
_cell_length_b [11.4450]
_cell_length_c [8.0870]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [RbTl2MoS4]
_chemical_formula_sum '[Rb4 Tl8 Mo4 S16]'
_cell_volume [968.7044]
_cell_formula_units_Z [4]
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  4  0.0000  0.0000  0.0477  1.0
  Tl  Tl1  8  0.2500  0.2500  0.0981  1.0
  Mo  Mo2  4  0.0000  0.0000  0.5457  1.0
  S  S3  8  0.0000  0.1706  0.4040  1.0
  S  S4  8  0.1780  0.0000  0.7011  1.0
]