data_[Rb8Cr12H40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Cr  1.6600  1.4000  0.9400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.5411]
_cell_length_b [5.8788]
_cell_length_c [7.4235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.9368]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Cr3H10]
_chemical_formula_sum '[Rb8 Cr12 H40]'
_cell_volume [699.6756]
_cell_formula_units_Z [4]
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  0.1119  0.5000  0.7084  1
  Rb  Rb1  4  0.2102  0.5000  0.3155  1
  Cr  Cr2  4  0.0000  0.2456  0.0000  1
  Cr  Cr3  4  0.0696  0.0000  0.4531  1
  Cr  Cr4  4  0.1742  0.0000  0.9884  1
  H  H5  8  0.1036  0.2178  0.0017  1
  H  H6  8  0.1348  0.2006  0.4471  1
  H  H7  4  0.0000  0.1920  0.5000  1
  H  H8  4  0.0238  0.5000  0.1539  1
  H  H9  4  0.0257  0.0000  0.1782  1
  H  H10  4  0.1294  0.0000  0.7120  1
  H  H11  4  0.2216  0.0000  0.2339  1
  H  H12  4  0.2500  0.2500  0.0000  1
]