data_[Rb1Tl2Mo1Cl8]
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
  Mo  2.1600  1.4500  0.7750
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.1510]
_cell_length_b [9.2775]
_cell_length_c [7.7101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.0043]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [RbTl2MoCl8]
_chemical_formula_sum '[Rb1 Tl2 Mo1 Cl8]'
_cell_volume [404.9942]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.0000  1
  Tl  Tl1  2  0.0000  0.2616  0.5000  1
  Mo  Mo2  1  0.0000  0.0000  0.0000  1
  Cl  Cl3  4  0.2423  0.1810  0.2035  1
  Cl  Cl4  2  0.2311  0.0000  0.8223  1
  Cl  Cl5  2  0.2846  0.5000  0.7149  1
]