data_[Rb3Th3Te6S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Th  1.3000  1.8000  1.0800
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.1328]
_cell_length_b [7.1328]
_cell_length_c [23.2259]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [RbTh(TeS3)2]
_chemical_formula_sum '[Rb3 Th3 Te6 S18]'
_cell_volume [1023.3591]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.5060  1
  Th  Th1  3  0.0000  0.0000  0.0207  1
  Te  Te2  3  0.0000  0.0000  0.2698  1
  Te  Te3  3  0.0000  0.0000  0.7135  1
  S  S4  9  0.0037  0.4120  0.4305  1
  S  S5  9  0.0148  0.6812  0.6205  1
]