data_[Rb2Mn2Tl4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Mn  1.5500  1.4000  0.6483
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.3555]
_cell_length_b [8.3928]
_cell_length_c [12.4678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.8489]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [RbMn(TlCl3)2]
_chemical_formula_sum '[Rb2 Mn2 Tl4 Cl12]'
_cell_volume [646.6082]
_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  0.5000  0.0000  0.0000  1.0
  Mn  Mn1  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl2  4  0.3014  0.5462  0.7820  1.0
  Cl  Cl3  4  0.0999  0.5792  0.2029  1.0
  Cl  Cl4  4  0.2224  0.2222  0.5843  1.0
  Cl  Cl5  4  0.3256  0.6640  0.0219  1.0
]