data_[Cs3Tl6As3Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  As  2.1800  1.1500  0.6600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.9278]
_cell_length_b [7.9278]
_cell_length_c [20.1731]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CsTl2AsCl6]
_chemical_formula_sum '[Cs3 Tl6 As3 Cl18]'
_cell_volume [1098.0311]
_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
[
  Cs  Cs0  3  0.0000  0.0000  0.8127  1.0
  Tl  Tl1  3  0.0000  0.0000  0.0198  1.0
  Tl  Tl2  3  0.0000  0.0000  0.5239  1.0
  As  As3  3  0.0000  0.0000  0.3231  1.0
  Cl  Cl4  9  0.0769  0.6724  0.0713  1.0
  Cl  Cl5  9  0.0819  0.3984  0.9229  1.0
]