data_[Rb4Tl2P2Cl12]
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
  P  2.1900  1.0000  0.5500
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.5293]
_cell_length_b [7.8099]
_cell_length_c [13.1456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5144]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Rb2TlPCl6]
_chemical_formula_sum '[Rb4 Tl2 P2 Cl12]'
_cell_volume [636.9383]
_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  4  0.2316  0.5606  0.7482  1.0
  Tl  Tl1  2  0.5000  0.0000  0.0000  1.0
  P  P2  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  4  0.1290  0.7386  0.4587  1.0
  Cl  Cl4  4  0.2258  0.1741  0.4615  1.0
  Cl  Cl5  4  0.2941  0.5180  0.2181  1.0
]