data_[Rb4Tl4Sn4]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.2823]
_cell_length_b [4.7071]
_cell_length_c [9.0276]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.5960]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [RbTlSn]
_chemical_formula_sum '[Rb4 Tl4 Sn4]'
_cell_volume [474.3387]
_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  2  0.0031  0.5000  0.0073  1.0
  Rb  Rb1  2  0.3625  0.0000  0.2982  1.0
  Tl  Tl2  2  0.0629  0.0000  0.7532  1.0
  Tl  Tl3  2  0.2482  0.5000  0.8451  1.0
  Sn  Sn4  2  0.1327  0.0000  0.4811  1.0
  Sn  Sn5  2  0.2825  0.5000  0.5361  1.0
]