data_[Rb2Zr2Tl2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Zr  1.3300  1.5500  0.8600
  Tl  1.6200  1.9000  1.3325
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.1897]
_cell_length_b [4.0084]
_cell_length_c [11.0492]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.8826]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbZrTlSe3]
_chemical_formula_sum '[Rb2 Zr2 Tl2 Se6]'
_cell_volume [360.8127]
_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  0.2521  0.2500  0.0228  1
  Zr  Zr1  2  0.0933  0.7500  0.6633  1
  Tl  Tl2  2  0.4440  0.7500  0.3558  1
  Se  Se3  2  0.0538  0.7500  0.2184  1
  Se  Se4  2  0.1878  0.2500  0.5143  1
  Se  Se5  2  0.3726  0.7500  0.7964  1
]