data_[Rb3Tl6P3Cl18]
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
  P  2.1900  1.0000  0.5500
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.3406]
_cell_length_b [8.3406]
_cell_length_c [19.3611]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [RbTl2PCl6]
_chemical_formula_sum '[Rb3 Tl6 P3 Cl18]'
_cell_volume [1166.4047]
_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  0.7988  1.0
  Tl  Tl1  3  0.0000  0.0000  0.0846  1.0
  Tl  Tl2  3  0.0000  0.0000  0.5004  1.0
  P  P3  3  0.0000  0.0000  0.3040  1.0
  Cl  Cl4  9  0.0095  0.7227  0.4078  1.0
  Cl  Cl5  9  0.1210  0.4385  0.9156  1.0
]