data_[Rb2Tl6As2]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.2663]
_cell_length_b [6.9212]
_cell_length_c [6.9137]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [RbTl3As]
_chemical_formula_sum '[Rb2 Tl6 As2]'
_cell_volume [347.6996]
_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  0.0000  0.2307  0.4701  1.0
  Tl  Tl1  4  0.2457  0.7253  0.4675  1.0
  Tl  Tl2  2  0.0000  0.8785  0.8462  1.0
  As  As3  2  0.0000  0.5872  0.1268  1.0
]