data_[Rb2Tl2Pb2Se6]
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
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.1812]
_cell_length_b [4.5553]
_cell_length_c [10.5951]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0428]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbTlPbSe3]
_chemical_formula_sum '[Rb2 Tl2 Pb2 Se6]'
_cell_volume [425.8656]
_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  0.2445  0.2500  0.2465  1.0
  Tl  Tl1  2  0.0999  0.2500  0.6443  1.0
  Pb  Pb2  2  0.3296  0.7500  0.9011  1.0
  Se  Se3  2  0.0628  0.2500  0.8802  1.0
  Se  Se4  2  0.1990  0.7500  0.5385  1.0
  Se  Se5  2  0.4917  0.7500  0.1727  1.0
]