data_[Rb1Cu1H1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.7811]
_cell_length_b [5.4636]
_cell_length_c [5.5239]
_cell_angle_alpha [87.7973]
_cell_angle_beta [66.7180]
_cell_angle_gamma [84.6111]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RbCuHF6]
_chemical_formula_sum '[Rb1 Cu1 H1 F6]'
_cell_volume [131.9605]
_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  0.8993  0.0043  0.9282  1
  Cu  Cu1  1  0.3350  0.4820  0.3425  1
  H  H2  1  0.6765  0.5827  0.5989  1
  F  F3  1  0.2207  0.7780  0.2454  1
  F  F4  1  0.2736  0.3037  0.0838  1
  F  F5  1  0.4535  0.2002  0.4664  1
  F  F6  1  0.4733  0.6711  0.6166  1
  F  F7  1  0.7214  0.5121  0.1204  1
  F  F8  1  0.9468  0.4660  0.5978  1
]