data_[Rb2Zr2Tl2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Zr  1.3300  1.5500  0.8600
  Tl  1.6200  1.9000  1.3325
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.9568]
_cell_length_b [3.8610]
_cell_length_c [10.6063]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.3191]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbZrTlS3]
_chemical_formula_sum '[Rb2 Zr2 Tl2 S6]'
_cell_volume [323.8638]
_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  0.2472  0.7500  0.9750  1
  Zr  Zr1  2  0.4107  0.2500  0.3372  1
  Tl  Tl2  2  0.0478  0.2500  0.6466  1
  S  S3  2  0.1357  0.2500  0.2037  1
  S  S4  2  0.3172  0.7500  0.4832  1
  S  S5  2  0.4510  0.2500  0.7804  1
]