data_[Rb8Ba4Te4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ba  0.8900  2.1500  1.4900
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [8.9947]
_cell_length_b [12.7761]
_cell_length_c [9.3884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Rb2BaTeS4]
_chemical_formula_sum '[Rb8 Ba4 Te4 S16]'
_cell_volume [1078.8881]
_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  0.0176  1.0
  Rb  Rb1  4  0.2500  0.2381  0.2244  1.0
  Ba  Ba2  4  0.0000  0.0000  0.5044  1.0
  Te  Te3  4  0.2500  0.7498  0.3010  1.0
  S  S4  8  0.0360  0.7471  0.9570  1.0
  S  S5  4  0.2500  0.5139  0.7852  1.0
  S  S6  4  0.2500  0.5542  0.2535  1.0
]