data_[Rb4H4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8193]
_cell_length_b [6.8670]
_cell_length_c [10.0406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4423]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [RbHF3]
_chemical_formula_sum '[Rb4 H4 F12]'
_cell_volume [386.7432]
_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  0.3463  0.2038  0.3400  1.0
  H  H1  4  0.2639  0.6837  0.3410  1.0
  F  F2  4  0.0413  0.5176  0.0791  1.0
  F  F3  4  0.1082  0.5691  0.3051  1.0
  F  F4  4  0.4216  0.7180  0.8743  1.0
]