data_[Rb2Tl4Mo2F12]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3734]
_cell_length_b [6.9547]
_cell_length_c [11.2970]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.8056]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [RbTl2MoF6]
_chemical_formula_sum '[Rb2 Tl4 Mo2 F12]'
_cell_volume [416.0831]
_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
  Tl  Tl1  4  0.2739  0.5411  0.7644  1.0
  Mo  Mo2  2  0.0000  0.0000  0.5000  1.0
  F  F3  4  0.1172  0.5674  0.2111  1.0
  F  F4  4  0.2355  0.2456  0.5733  1.0
  F  F5  4  0.3065  0.6543  0.0227  1.0
]