data_[Rb1Mo1H1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Mo  2.1600  1.4500  0.7750
  H  2.2000  0.2500  0.0000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.4859]
_cell_length_b [6.8792]
_cell_length_c [7.3777]
_cell_angle_alpha [89.2491]
_cell_angle_beta [64.1948]
_cell_angle_gamma [87.5690]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RbMoHCl6]
_chemical_formula_sum '[Rb1 Mo1 H1 Cl6]'
_cell_volume [296.0769]
_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  0.9889  0.0024  0.0120  1.0
  Mo  Mo1  1  0.3145  0.4995  0.3726  1.0
  H  H2  1  0.8108  0.5009  0.3808  1.0
  Cl  Cl3  1  0.0743  0.2857  0.6194  1.0
  Cl  Cl4  1  0.3052  0.7161  0.6211  1.0
  Cl  Cl5  1  0.3436  0.2799  0.1161  1.0
  Cl  Cl6  1  0.5419  0.7155  0.1172  1.0
  Cl  Cl7  1  0.6567  0.3298  0.3832  1.0
  Cl  Cl8  1  0.9639  0.6701  0.3776  1.0
]